<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">6.3.2</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">27Jun22 (build Feb 11 2023 09:31:23) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2023-12-23T19:25:10.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Ni"
                        id="a1"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <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="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <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="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <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 a60" order="S"/>
                  <bond atomRefs2="a1 a74" order="S"/>
                  <bond atomRefs2="a1 a80" order="S"/>
                  <bond atomRefs2="a1 a77" order="S"/>
                  <bond atomRefs2="a2 a71" order="S"/>
                  <bond atomRefs2="a2 a75" order="S"/>
                  <bond atomRefs2="a2 a78" order="S"/>
                  <bond atomRefs2="a2 a68" order="S"/>
                  <bond atomRefs2="a3 a68" order="S"/>
                  <bond atomRefs2="a3 a63" order="S"/>
                  <bond atomRefs2="a3 a65" order="S"/>
                  <bond atomRefs2="a3 a48" order="S"/>
                  <bond atomRefs2="a3 a75" order="S"/>
                  <bond atomRefs2="a4 a79" order="S"/>
                  <bond atomRefs2="a4 a80" order="S"/>
                  <bond atomRefs2="a4 a74" order="S"/>
                  <bond atomRefs2="a4 a72" order="S"/>
                  <bond atomRefs2="a5 a79" order="S"/>
                  <bond atomRefs2="a5 a72" order="S"/>
                  <bond atomRefs2="a5 a76" order="S"/>
                  <bond atomRefs2="a5 a71" order="S"/>
                  <bond atomRefs2="a5 a69" order="S"/>
                  <bond atomRefs2="a6 a68" order="S"/>
                  <bond atomRefs2="a6 a63" order="S"/>
                  <bond atomRefs2="a6 a61" order="S"/>
                  <bond atomRefs2="a6 a69" order="S"/>
                  <bond atomRefs2="a6 a71" order="S"/>
                  <bond atomRefs2="a7 a72" order="S"/>
                  <bond atomRefs2="a7 a77" order="S"/>
                  <bond atomRefs2="a7 a74" order="S"/>
                  <bond atomRefs2="a7 a76" order="S"/>
                  <bond atomRefs2="a7 a52" order="S"/>
                  <bond atomRefs2="a7 a64" order="S"/>
                  <bond atomRefs2="a8 a54" order="S"/>
                  <bond atomRefs2="a8 a57" order="S"/>
                  <bond atomRefs2="a8 a52" order="S"/>
                  <bond atomRefs2="a8 a56" order="S"/>
                  <bond atomRefs2="a8 a44" order="S"/>
                  <bond atomRefs2="a9 a48" order="S"/>
                  <bond atomRefs2="a9 a43" order="S"/>
                  <bond atomRefs2="a9 a45" order="S"/>
                  <bond atomRefs2="a9 a55" order="S"/>
                  <bond atomRefs2="a10 a60" order="S"/>
                  <bond atomRefs2="a10 a77" order="S"/>
                  <bond atomRefs2="a10 a52" order="S"/>
                  <bond atomRefs2="a10 a57" order="S"/>
                  <bond atomRefs2="a10 a50" order="S"/>
                  <bond atomRefs2="a11 a79" order="S"/>
                  <bond atomRefs2="a11 a74" order="S"/>
                  <bond atomRefs2="a11 a73" order="S"/>
                  <bond atomRefs2="a11 a76" order="S"/>
                  <bond atomRefs2="a11 a59" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a12 a48" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a12 a41" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a49" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a12 a63" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a51" order="S"/>
                  <bond atomRefs2="a13 a58" order="S"/>
                  <bond atomRefs2="a13 a53" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a55" order="S"/>
                  <bond atomRefs2="a14 a60" order="S"/>
                  <bond atomRefs2="a14 a74" order="S"/>
                  <bond atomRefs2="a14 a59" order="S"/>
                  <bond atomRefs2="a14 a54" order="S"/>
                  <bond atomRefs2="a14 a52" order="S"/>
                  <bond atomRefs2="a15 a78" order="S"/>
                  <bond atomRefs2="a15 a73" order="S"/>
                  <bond atomRefs2="a15 a75" order="S"/>
                  <bond atomRefs2="a15 a58" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a16 a75" order="S"/>
                  <bond atomRefs2="a16 a58" order="S"/>
                  <bond atomRefs2="a16 a51" order="S"/>
                  <bond atomRefs2="a16 a55" order="S"/>
                  <bond atomRefs2="a16 a48" order="S"/>
                  <bond atomRefs2="a17 a64" order="S"/>
                  <bond atomRefs2="a17 a70" order="S"/>
                  <bond atomRefs2="a17 a67" order="S"/>
                  <bond atomRefs2="a17 a50" order="S"/>
                  <bond atomRefs2="a17 a77" order="S"/>
                  <bond atomRefs2="a18 a41" order="S"/>
                  <bond atomRefs2="a18 a45" order="S"/>
                  <bond atomRefs2="a18 a48" order="S"/>
                  <bond atomRefs2="a18 a65" order="S"/>
                  <bond atomRefs2="a19 a68" order="S"/>
                  <bond atomRefs2="a19 a61" order="S"/>
                  <bond atomRefs2="a19 a65" order="S"/>
                  <bond atomRefs2="a20 a69" order="S"/>
                  <bond atomRefs2="a20 a64" order="S"/>
                  <bond atomRefs2="a20 a66" order="S"/>
                  <bond atomRefs2="a20 a63" order="S"/>
                  <bond atomRefs2="a20 a49" order="S"/>
                  <bond atomRefs2="a20 a76" order="S"/>
                  <bond atomRefs2="a21 a69" order="S"/>
                  <bond atomRefs2="a21 a62" order="S"/>
                  <bond atomRefs2="a21 a66" order="S"/>
                  <bond atomRefs2="a21 a61" order="S"/>
                  <bond atomRefs2="a22 a78" order="S"/>
                  <bond atomRefs2="a22 a73" order="S"/>
                  <bond atomRefs2="a22 a71" order="S"/>
                  <bond atomRefs2="a22 a79" order="S"/>
                  <bond atomRefs2="a23 a49" order="S"/>
                  <bond atomRefs2="a23 a44" order="S"/>
                  <bond atomRefs2="a23 a43" order="S"/>
                  <bond atomRefs2="a23 a46" order="S"/>
                  <bond atomRefs2="a23 a56" order="S"/>
                  <bond atomRefs2="a24 a69" order="S"/>
                  <bond atomRefs2="a24 a70" order="S"/>
                  <bond atomRefs2="a24 a64" order="S"/>
                  <bond atomRefs2="a24 a62" order="S"/>
                  <bond atomRefs2="a24 a72" order="S"/>
                  <bond atomRefs2="a25 a42" order="S"/>
                  <bond atomRefs2="a25 a47" order="S"/>
                  <bond atomRefs2="a25 a50" order="S"/>
                  <bond atomRefs2="a25 a67" order="S"/>
                  <bond atomRefs2="a26 a46" order="S"/>
                  <bond atomRefs2="a26 a41" order="S"/>
                  <bond atomRefs2="a26 a45" order="S"/>
                  <bond atomRefs2="a26 a43" order="S"/>
                  <bond atomRefs2="a27 a73" 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="a28 a62" order="S"/>
                  <bond atomRefs2="a28 a67" order="S"/>
                  <bond atomRefs2="a28 a70" order="S"/>
                  <bond atomRefs2="a29 a76" order="S"/>
                  <bond atomRefs2="a29 a71" order="S"/>
                  <bond atomRefs2="a29 a75" order="S"/>
                  <bond atomRefs2="a29 a73" order="S"/>
                  <bond atomRefs2="a29 a51" order="S"/>
                  <bond atomRefs2="a29 a63" order="S"/>
                  <bond atomRefs2="a30 a59" order="S"/>
                  <bond atomRefs2="a30 a54" order="S"/>
                  <bond atomRefs2="a30 a56" order="S"/>
                  <bond atomRefs2="a30 a53" order="S"/>
                  <bond atomRefs2="a31 a49" order="S"/>
                  <bond atomRefs2="a31 a50" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a31 a42" order="S"/>
                  <bond atomRefs2="a31 a64" order="S"/>
                  <bond atomRefs2="a31 a52" order="S"/>
                  <bond atomRefs2="a32 a42" order="S"/>
                  <bond atomRefs2="a32 a47" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a33 a72" order="S"/>
                  <bond atomRefs2="a33 a77" order="S"/>
                  <bond atomRefs2="a33 a80" order="S"/>
                  <bond atomRefs2="a33 a70" order="S"/>
                  <bond atomRefs2="a34 a56" order="S"/>
                  <bond atomRefs2="a34 a53" order="S"/>
                  <bond atomRefs2="a34 a55" order="S"/>
                  <bond atomRefs2="a34 a51" order="S"/>
                  <bond atomRefs2="a34 a43" order="S"/>
                  <bond atomRefs2="a35 a62" order="S"/>
                  <bond atomRefs2="a35 a67" order="S"/>
                  <bond atomRefs2="a35 a64" order="S"/>
                  <bond atomRefs2="a35 a66" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a36 a76" order="S"/>
                  <bond atomRefs2="a36 a59" order="S"/>
                  <bond atomRefs2="a36 a52" order="S"/>
                  <bond atomRefs2="a36 a56" order="S"/>
                  <bond atomRefs2="a36 a51" order="S"/>
                  <bond atomRefs2="a36 a49" order="S"/>
                  <bond atomRefs2="a37 a60" order="S"/>
                  <bond atomRefs2="a37 a54" order="S"/>
                  <bond atomRefs2="a37 a57" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a46" order="S"/>
                  <bond atomRefs2="a38 a41" order="S"/>
                  <bond atomRefs2="a38 a66" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a50" order="S"/>
                  <bond atomRefs2="a39 a47" order="S"/>
                  <bond atomRefs2="a39 a57" 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="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <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="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <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="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <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 a60" order="S"/>
                  <bond atomRefs2="a1 a74" order="S"/>
                  <bond atomRefs2="a1 a80" order="S"/>
                  <bond atomRefs2="a1 a77" order="S"/>
                  <bond atomRefs2="a2 a71" order="S"/>
                  <bond atomRefs2="a2 a75" order="S"/>
                  <bond atomRefs2="a2 a78" order="S"/>
                  <bond atomRefs2="a2 a68" order="S"/>
                  <bond atomRefs2="a3 a68" order="S"/>
                  <bond atomRefs2="a3 a63" order="S"/>
                  <bond atomRefs2="a3 a65" order="S"/>
                  <bond atomRefs2="a3 a48" order="S"/>
                  <bond atomRefs2="a3 a75" order="S"/>
                  <bond atomRefs2="a4 a79" order="S"/>
                  <bond atomRefs2="a4 a80" order="S"/>
                  <bond atomRefs2="a4 a74" order="S"/>
                  <bond atomRefs2="a4 a72" order="S"/>
                  <bond atomRefs2="a5 a79" order="S"/>
                  <bond atomRefs2="a5 a72" order="S"/>
                  <bond atomRefs2="a5 a76" order="S"/>
                  <bond atomRefs2="a5 a71" order="S"/>
                  <bond atomRefs2="a5 a69" order="S"/>
                  <bond atomRefs2="a6 a68" order="S"/>
                  <bond atomRefs2="a6 a63" order="S"/>
                  <bond atomRefs2="a6 a61" order="S"/>
                  <bond atomRefs2="a6 a69" order="S"/>
                  <bond atomRefs2="a6 a71" order="S"/>
                  <bond atomRefs2="a7 a72" order="S"/>
                  <bond atomRefs2="a7 a77" order="S"/>
                  <bond atomRefs2="a7 a74" order="S"/>
                  <bond atomRefs2="a7 a76" order="S"/>
                  <bond atomRefs2="a7 a52" order="S"/>
                  <bond atomRefs2="a7 a64" order="S"/>
                  <bond atomRefs2="a8 a54" order="S"/>
                  <bond atomRefs2="a8 a57" order="S"/>
                  <bond atomRefs2="a8 a52" order="S"/>
                  <bond atomRefs2="a8 a56" order="S"/>
                  <bond atomRefs2="a8 a44" order="S"/>
                  <bond atomRefs2="a9 a48" order="S"/>
                  <bond atomRefs2="a9 a43" order="S"/>
                  <bond atomRefs2="a9 a45" order="S"/>
                  <bond atomRefs2="a9 a55" order="S"/>
                  <bond atomRefs2="a10 a60" order="S"/>
                  <bond atomRefs2="a10 a77" order="S"/>
                  <bond atomRefs2="a10 a52" order="S"/>
                  <bond atomRefs2="a10 a57" order="S"/>
                  <bond atomRefs2="a10 a50" order="S"/>
                  <bond atomRefs2="a11 a79" order="S"/>
                  <bond atomRefs2="a11 a74" order="S"/>
                  <bond atomRefs2="a11 a73" order="S"/>
                  <bond atomRefs2="a11 a76" order="S"/>
                  <bond atomRefs2="a11 a59" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a12 a48" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a12 a41" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a49" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a12 a63" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a51" order="S"/>
                  <bond atomRefs2="a13 a58" order="S"/>
                  <bond atomRefs2="a13 a53" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a55" order="S"/>
                  <bond atomRefs2="a14 a60" order="S"/>
                  <bond atomRefs2="a14 a74" order="S"/>
                  <bond atomRefs2="a14 a59" order="S"/>
                  <bond atomRefs2="a14 a54" order="S"/>
                  <bond atomRefs2="a14 a52" order="S"/>
                  <bond atomRefs2="a15 a78" order="S"/>
                  <bond atomRefs2="a15 a73" order="S"/>
                  <bond atomRefs2="a15 a75" order="S"/>
                  <bond atomRefs2="a15 a58" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a16 a75" order="S"/>
                  <bond atomRefs2="a16 a58" order="S"/>
                  <bond atomRefs2="a16 a51" order="S"/>
                  <bond atomRefs2="a16 a55" order="S"/>
                  <bond atomRefs2="a16 a48" order="S"/>
                  <bond atomRefs2="a17 a64" order="S"/>
                  <bond atomRefs2="a17 a70" order="S"/>
                  <bond atomRefs2="a17 a67" order="S"/>
                  <bond atomRefs2="a17 a50" order="S"/>
                  <bond atomRefs2="a17 a77" order="S"/>
                  <bond atomRefs2="a18 a41" order="S"/>
                  <bond atomRefs2="a18 a45" order="S"/>
                  <bond atomRefs2="a18 a48" order="S"/>
                  <bond atomRefs2="a18 a65" order="S"/>
                  <bond atomRefs2="a19 a68" order="S"/>
                  <bond atomRefs2="a19 a61" order="S"/>
                  <bond atomRefs2="a19 a65" order="S"/>
                  <bond atomRefs2="a20 a69" order="S"/>
                  <bond atomRefs2="a20 a64" order="S"/>
                  <bond atomRefs2="a20 a66" order="S"/>
                  <bond atomRefs2="a20 a63" order="S"/>
                  <bond atomRefs2="a20 a49" order="S"/>
                  <bond atomRefs2="a20 a76" order="S"/>
                  <bond atomRefs2="a21 a69" order="S"/>
                  <bond atomRefs2="a21 a62" order="S"/>
                  <bond atomRefs2="a21 a66" order="S"/>
                  <bond atomRefs2="a21 a61" order="S"/>
                  <bond atomRefs2="a22 a78" order="S"/>
                  <bond atomRefs2="a22 a73" order="S"/>
                  <bond atomRefs2="a22 a71" order="S"/>
                  <bond atomRefs2="a22 a79" order="S"/>
                  <bond atomRefs2="a23 a49" order="S"/>
                  <bond atomRefs2="a23 a44" order="S"/>
                  <bond atomRefs2="a23 a43" order="S"/>
                  <bond atomRefs2="a23 a46" order="S"/>
                  <bond atomRefs2="a23 a56" order="S"/>
                  <bond atomRefs2="a24 a69" order="S"/>
                  <bond atomRefs2="a24 a70" order="S"/>
                  <bond atomRefs2="a24 a64" order="S"/>
                  <bond atomRefs2="a24 a62" order="S"/>
                  <bond atomRefs2="a24 a72" order="S"/>
                  <bond atomRefs2="a25 a42" order="S"/>
                  <bond atomRefs2="a25 a47" order="S"/>
                  <bond atomRefs2="a25 a50" order="S"/>
                  <bond atomRefs2="a25 a67" order="S"/>
                  <bond atomRefs2="a26 a46" order="S"/>
                  <bond atomRefs2="a26 a41" order="S"/>
                  <bond atomRefs2="a26 a45" order="S"/>
                  <bond atomRefs2="a26 a43" order="S"/>
                  <bond atomRefs2="a27 a73" 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="a28 a62" order="S"/>
                  <bond atomRefs2="a28 a67" order="S"/>
                  <bond atomRefs2="a28 a70" order="S"/>
                  <bond atomRefs2="a29 a76" order="S"/>
                  <bond atomRefs2="a29 a71" order="S"/>
                  <bond atomRefs2="a29 a75" order="S"/>
                  <bond atomRefs2="a29 a73" order="S"/>
                  <bond atomRefs2="a29 a51" order="S"/>
                  <bond atomRefs2="a29 a63" order="S"/>
                  <bond atomRefs2="a30 a59" order="S"/>
                  <bond atomRefs2="a30 a54" order="S"/>
                  <bond atomRefs2="a30 a56" order="S"/>
                  <bond atomRefs2="a30 a53" order="S"/>
                  <bond atomRefs2="a31 a49" order="S"/>
                  <bond atomRefs2="a31 a50" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a31 a42" order="S"/>
                  <bond atomRefs2="a31 a64" order="S"/>
                  <bond atomRefs2="a31 a52" order="S"/>
                  <bond atomRefs2="a32 a42" order="S"/>
                  <bond atomRefs2="a32 a47" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a33 a72" order="S"/>
                  <bond atomRefs2="a33 a77" order="S"/>
                  <bond atomRefs2="a33 a80" order="S"/>
                  <bond atomRefs2="a33 a70" order="S"/>
                  <bond atomRefs2="a34 a56" order="S"/>
                  <bond atomRefs2="a34 a53" order="S"/>
                  <bond atomRefs2="a34 a55" order="S"/>
                  <bond atomRefs2="a34 a51" order="S"/>
                  <bond atomRefs2="a34 a43" order="S"/>
                  <bond atomRefs2="a35 a62" order="S"/>
                  <bond atomRefs2="a35 a67" order="S"/>
                  <bond atomRefs2="a35 a64" order="S"/>
                  <bond atomRefs2="a35 a66" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a36 a76" order="S"/>
                  <bond atomRefs2="a36 a59" order="S"/>
                  <bond atomRefs2="a36 a52" order="S"/>
                  <bond atomRefs2="a36 a56" order="S"/>
                  <bond atomRefs2="a36 a51" order="S"/>
                  <bond atomRefs2="a36 a49" order="S"/>
                  <bond atomRefs2="a37 a60" order="S"/>
                  <bond atomRefs2="a37 a54" order="S"/>
                  <bond atomRefs2="a37 a57" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a46" order="S"/>
                  <bond atomRefs2="a38 a41" order="S"/>
                  <bond atomRefs2="a38 a66" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a50" order="S"/>
                  <bond atomRefs2="a39 a47" order="S"/>
                  <bond atomRefs2="a39 a57" 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:libxc">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="5">PAW_PBE Ni 02Aug2007|PAW_PBE Mg 13Apr2007|PAW_PBE Cu 22Jun2005|PAW_PBE Zn 06Sep2000|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="5">Ni Mg Cu Zn O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="5">58.690 24.305 63.546 65.390 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="5">10.000 2.000 11.000 12.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="5">10 10 10 10 40</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="728">-18.8701 -18.5176 -18.4455 -18.3549 -18.1725 -18.1211 -18.0528 -17.9948 -17.9539 -17.9368 -17.8754 -17.8352 -17.8006 -17.7666 -17.7161 -17.6934 -17.6654 -17.6443 -17.6194 -17.5984 -17.5407 -17.5105 -17.4778 -17.4660 -17.4430 -17.4050 -17.3860 -17.3381 -17.2778 -17.2164 -17.2049 -17.1490 -17.1255 -17.1062 -17.0773 -17.0341 -16.9271 -16.9009 -16.8985 -16.7765 -6.8655 -6.7808 -6.6826 -6.6364 -6.4769 -6.4434 -6.4076 -6.3826 -6.3494 -6.3128 -6.2819 -6.2250 -6.1902 -6.1718 -6.1325 -6.0917 -6.0615 -6.0460 -6.0258 -6.0043 -5.9789 -5.9359 -5.9270 -5.9159 -5.9097 -5.8873 -5.8473 -5.8233 -5.8072 -5.7863 -5.7698 -5.7553 -5.7293 -5.7174 -5.7031 -5.6885 -5.6443 -5.6341 -5.6168 -5.5998 -5.5755 -5.5646 -5.5413 -5.5099 -5.5050 -5.4691 -5.4415 -5.4146 -5.3749 -5.3594 -5.3413 -5.3113 -5.2791 -5.2578 -5.2390 -5.2231 -5.1982 -5.1619 -5.1353 -5.1318 -5.1091 -5.0892 -5.0526 -5.0165 -5.0007 -4.9745 -4.9334 -4.9134 -4.8695 -4.8454 -4.8041 -4.7913 -4.7436 -4.7366 -4.7006 -4.6745 -4.6269 -4.5914 -4.5734 -4.5321 -4.5190 -4.4909 -4.4637 -4.4200 -4.4129 -4.3597 -4.3362 -4.3148 -4.3017 -4.2423 -4.2123 -4.1919 -4.1717 -4.1250 -4.0590 -4.0459 -4.0402 -4.0089 -3.9705 -3.9517 -3.9143 -3.8956 -3.8650 -3.8341 -3.8016 -3.7701 -3.7547 -3.7310 -3.6877 -3.6734 -3.6371 -3.6240 -3.5838 -3.5433 -3.5001 -3.4831 -3.4630 -3.4100 -3.3892 -3.3731 -3.3454 -3.3236 -3.3001 -3.2418 -3.2344 -3.2157 -3.1723 -3.1555 -3.1119 -3.0988 -3.0539 -3.0147 -2.9910 -2.9382 -2.8952 -2.8443 -2.8191 -2.7715 -2.7481 -2.7237 -2.6930 -2.6742 -2.6411 -2.6063 -2.5779 -2.5372 -2.5238 -2.4859 -2.4446 -2.4125 -2.3851 -2.3669 -2.3394 -2.3074 -2.2679 -2.2509 -2.2210 -2.1846 -2.1640 -2.0934 -2.0208 -1.9976 -1.9389 -1.9189 -1.8344 -1.7810 -1.7284 -1.6721 -1.6409 -1.6110 -1.5882 -1.5493 -1.5012 -1.4951 -1.4728 -1.4455 -1.4254 -1.3776 -1.3535 -1.3330 -1.3265 -1.3157 -1.2999 -1.2713 -1.2561 -1.2454 -1.2287 -1.2065 -1.1753 -1.1595 -1.1517 -1.1324 -1.1205 -1.0979 -1.0847 -1.0616 -1.0408 -1.0341 -1.0230 -1.0129 -1.0027 -0.9879 -0.9745 -0.9588 -0.9451 -0.9323 -0.9171 -0.9008 -0.8921 -0.8819 -0.8648 -0.8476 -0.8387 -0.8278 -0.8194 -0.8087 -0.7846 -0.7757 -0.7627 -0.7462 -0.7376 -0.7084 -0.6870 -0.6755 -0.6544 -0.6407 -0.6155 -0.6045 -0.5893 -0.5745 -0.5575 -0.5249 -0.5181 -0.4917 -0.4649 -0.4379 -0.4201 -0.3636 -0.3337 -0.3112 -0.2903 -0.2310 -0.1964 -0.1560 -0.1069 -0.0813 -0.0413 -0.0160 0.0244 0.0798 0.1178 0.1406 0.1910 0.2368 0.2973 0.3204 0.3706 0.4326 0.4838 0.5770 0.6259 0.6311 0.7178 0.7653 0.9127 0.9686 1.0183 1.1458 1.3242 1.3886 2.2622 2.6605 3.6129 3.7948 3.9043 3.9367 3.9597 4.5901 4.6849 4.7536 4.8041 4.8797 4.9660 5.0670 5.3330 5.4354 5.5085 5.5682 5.5915 5.7077 5.7559 5.8370 5.8780 5.9388 6.0007 6.0299 6.0984 6.1619 6.3285 6.4742 6.5912 6.6459 6.6758 6.7622 6.7846 6.8245 6.9278 7.0150 7.0984 7.1444 7.1654 7.2262 7.2728 7.4897 7.4958 7.5377 7.5676 7.6658 7.7423 7.9168 7.9775 8.0294 8.0542 8.1385 -18.8699 -18.5287 -18.4304 -18.3495 -18.1815 -18.1389 -18.0325 -18.0026 -17.9528 -17.9286 -17.8805 -17.8517 -17.7758 -17.7490 -17.7315 -17.7076 -17.6700 -17.6441 -17.6119 -17.5871 -17.5460 -17.5094 -17.4889 -17.4651 -17.4446 -17.4072 -17.3747 -17.3432 -17.2743 -17.2109 -17.2054 -17.1647 -17.1253 -17.1020 -17.0692 -17.0352 -16.9313 -16.9004 -16.8978 -16.7759 -6.8626 -6.7788 -6.6867 -6.6401 -6.4815 -6.4548 -6.3958 -6.3734 -6.3525 -6.3207 -6.2965 -6.2382 -6.1776 -6.1592 -6.1268 -6.0929 -6.0673 -6.0419 -6.0198 -5.9908 -5.9795 -5.9527 -5.9223 -5.9122 -5.8894 -5.8717 -5.8529 -5.8286 -5.8054 -5.7835 -5.7663 -5.7461 -5.7404 -5.6990 -5.6864 -5.6749 -5.6645 -5.6479 -5.6359 -5.6090 -5.5837 -5.5556 -5.5255 -5.5151 -5.4934 -5.4679 -5.4574 -5.4117 -5.3843 -5.3687 -5.3430 -5.3290 -5.2807 -5.2675 -5.2614 -5.2259 -5.1844 -5.1647 -5.1342 -5.1157 -5.0920 -5.0768 -5.0513 -5.0246 -5.0156 -4.9707 -4.9384 -4.9308 -4.8766 -4.8504 -4.8153 -4.7940 -4.7563 -4.7132 -4.6883 -4.6721 -4.6536 -4.6039 -4.5736 -4.5413 -4.4928 -4.4869 -4.4648 -4.4332 -4.3756 -4.3523 -4.3377 -4.3162 -4.2900 -4.2493 -4.2234 -4.1796 -4.1637 -4.1123 -4.0677 -4.0565 -3.9977 -3.9857 -3.9572 -3.9430 -3.9092 -3.8843 -3.8584 -3.8443 -3.7981 -3.7805 -3.7729 -3.7296 -3.6846 -3.6696 -3.6522 -3.6219 -3.5935 -3.5612 -3.5152 -3.4936 -3.4656 -3.4183 -3.3977 -3.3721 -3.3361 -3.3250 -3.2956 -3.2662 -3.2297 -3.2056 -3.1709 -3.1237 -3.1055 -3.0764 -3.0566 -3.0289 -2.9924 -2.9520 -2.8905 -2.8693 -2.8283 -2.7940 -2.7749 -2.7329 -2.7046 -2.6733 -2.6536 -2.6164 -2.5784 -2.5136 -2.5026 -2.4679 -2.4449 -2.4111 -2.3909 -2.3579 -2.3376 -2.3089 -2.2787 -2.2381 -2.2156 -2.1914 -2.1366 -2.0636 -2.0345 -1.9967 -1.9576 -1.8919 -1.8433 -1.7790 -1.7272 -1.6595 -1.6237 -1.5951 -1.5936 -1.5589 -1.5211 -1.4736 -1.4535 -1.4334 -1.4106 -1.3970 -1.3833 -1.3481 -1.3199 -1.3090 -1.2832 -1.2777 -1.2551 -1.2414 -1.2335 -1.2124 -1.1920 -1.1824 -1.1697 -1.1538 -1.1104 -1.0949 -1.0761 -1.0661 -1.0597 -1.0463 -1.0311 -1.0104 -0.9988 -0.9797 -0.9704 -0.9574 -0.9458 -0.9369 -0.9140 -0.8983 -0.8877 -0.8734 -0.8702 -0.8557 -0.8468 -0.8304 -0.8180 -0.8016 -0.7845 -0.7751 -0.7520 -0.7449 -0.7160 -0.7000 -0.6922 -0.6678 -0.6348 -0.6319 -0.6189 -0.6050 -0.5903 -0.5781 -0.5516 -0.5318 -0.5175 -0.4951 -0.4756 -0.4419 -0.4338 -0.3556 -0.3299 -0.3089 -0.2982 -0.2300 -0.1933 -0.1615 -0.1012 -0.0800 -0.0480 -0.0143 0.0282 0.0749 0.1108 0.1315 0.1898 0.2392 0.2866 0.3277 0.3713 0.4459 0.4856 0.5833 0.6201 0.6332 0.7119 0.7646 0.9137 0.9727 1.0213 1.1441 1.3237 1.3888 2.2622 2.6604 3.6116 3.7912 3.9079 3.9397 3.9585 4.5826 4.6870 4.7392 4.7949 4.8943 4.9965 5.0770 5.3168 5.4219 5.5286 5.5621 5.5824 5.6396 5.8008 5.8470 5.8952 5.9516 6.0228 6.0264 6.0678 6.1404 6.3392 6.5096 6.5618 6.6645 6.6803 6.7640 6.7837 6.8294 6.9203 7.0098 7.0664 7.1233 7.1874 7.2370 7.3266 7.3876 7.4917 7.5173 7.6062 7.6637 7.7409 7.9377 7.9493 8.0443 8.1220 8.1480</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="728">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99830 0.29981 0.18490 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99347 0.45204 0.14848 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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">-18.8430 -18.4551 -18.3739 -18.3478 -18.0904 -18.0573 -18.0055 -17.9692 -17.9373 -17.8830 -17.8239 -17.7816 -17.7361 -17.7142 -17.7003 -17.6665 -17.6076 -17.5989 -17.5557 -17.5483 -17.4881 -17.4534 -17.4332 -17.3942 -17.3847 -17.3054 -17.2724 -17.2242 -17.2107 -17.1567 -17.0856 -17.0597 -17.0324 -16.9986 -16.9616 -16.9227 -16.8932 -16.8705 -16.7775 -16.6540 -6.8223 -6.7740 -6.6670 -6.6367 -6.4334 -6.4068 -6.3742 -6.3608 -6.3451 -6.2782 -6.2376 -6.1942 -6.1649 -6.1243 -6.0906 -6.0563 -6.0502 -6.0152 -5.9969 -5.9638 -5.9597 -5.9259 -5.9050 -5.8962 -5.8810 -5.8566 -5.8241 -5.8027 -5.7738 -5.7561 -5.7408 -5.7263 -5.6960 -5.6803 -5.6664 -5.6512 -5.6180 -5.6047 -5.5901 -5.5709 -5.5543 -5.5282 -5.5113 -5.4893 -5.4721 -5.4508 -5.4347 -5.3868 -5.3591 -5.3309 -5.3119 -5.2956 -5.2488 -5.2336 -5.2087 -5.1890 -5.1718 -5.1398 -5.0989 -5.0857 -5.0604 -5.0271 -4.9970 -4.9777 -4.9580 -4.9191 -4.8946 -4.8450 -4.8169 -4.7720 -4.7532 -4.7265 -4.6871 -4.6487 -4.6250 -4.5725 -4.5560 -4.5202 -4.4687 -4.4315 -4.4069 -4.3864 -4.3654 -4.3016 -4.2856 -4.2554 -4.2026 -4.1854 -4.1380 -4.0862 -4.0664 -4.0388 -4.0160 -3.9723 -3.9233 -3.8823 -3.8674 -3.8411 -3.7970 -3.7589 -3.7420 -3.7210 -3.6816 -3.6529 -3.6193 -3.5809 -3.5536 -3.5192 -3.5070 -3.4965 -3.4529 -3.4131 -3.3956 -3.3537 -3.3388 -3.3230 -3.2746 -3.2616 -3.2482 -3.2286 -3.1948 -3.1735 -3.1522 -3.1272 -3.1023 -3.0695 -3.0435 -3.0021 -2.9793 -2.9527 -2.9026 -2.8619 -2.8245 -2.8025 -2.7614 -2.7449 -2.7070 -2.6778 -2.6382 -2.6215 -2.6073 -2.5556 -2.5379 -2.4973 -2.4774 -2.4172 -2.4029 -2.3365 -2.3269 -2.2994 -2.2648 -2.2438 -2.2239 -2.1847 -2.1358 -2.1271 -2.1049 -2.0483 -2.0179 -1.9439 -1.9041 -1.8712 -1.8534 -1.7902 -1.7593 -1.7096 -1.6680 -1.6486 -1.5877 -1.5458 -1.5209 -1.4909 -1.4683 -1.3962 -1.3841 -1.3582 -1.3283 -1.2941 -1.2732 -1.2542 -1.2367 -1.2164 -1.2017 -1.1827 -1.1378 -1.1244 -1.1123 -1.0680 -1.0530 -1.0369 -1.0159 -0.9951 -0.9832 -0.9710 -0.9282 -0.9073 -0.8720 -0.8628 -0.8205 -0.8048 -0.7787 -0.7730 -0.7320 -0.7089 -0.6780 -0.6174 -0.5790 -0.5601 -0.5375 -0.4891 -0.4747 -0.4532 -0.4355 -0.4119 -0.3898 -0.3546 -0.3459 -0.3104 -0.2938 -0.2779 -0.2629 -0.2168 -0.1913 -0.1842 -0.1790 -0.1428 -0.1208 -0.1052 -0.0871 -0.0560 -0.0391 -0.0192 -0.0081 0.0124 0.0228 0.0612 0.0708 0.0936 0.1176 0.1418 0.1775 0.2035 0.2156 0.2429 0.2735 0.3205 0.3436 0.3687 0.5536 0.6197 0.7322 0.8684 0.8993 0.9596 1.1026 1.1238 1.1554 1.1771 1.3624 1.4487 1.5097 1.5729 1.6314 1.6917 1.7450 1.8200 1.9106 1.9217 2.0467 2.2069 2.3251 2.7526 3.6520 3.8604 4.0087 4.0303 4.1028 4.6316 4.7124 4.7804 4.8819 4.9233 4.9874 5.1393 5.3671 5.4651 5.5655 5.6472 5.7103 5.7521 5.8159 5.9027 5.9421 6.0063 6.0760 6.1032 6.1517 6.2640 6.4039 6.4989 6.5952 6.6664 6.7731 6.7900 6.8123 6.8682 6.9493 7.0403 7.1077 7.1792 7.2160 7.2541 7.3154 7.4916 7.5337 7.5612 7.6104 7.6968 7.7741 7.9186 7.9532 8.0329 8.0820 8.1922 -18.8430 -18.4596 -18.3596 -18.3548 -18.0846 -18.0660 -18.0215 -17.9629 -17.9241 -17.8865 -17.8145 -17.7832 -17.7572 -17.7268 -17.6809 -17.6329 -17.6193 -17.6025 -17.5729 -17.5427 -17.4970 -17.4476 -17.4300 -17.4003 -17.3774 -17.2959 -17.2871 -17.2257 -17.2111 -17.1494 -17.0670 -17.0565 -17.0542 -17.0079 -16.9617 -16.9194 -16.9010 -16.8451 -16.7928 -16.6518 -6.8186 -6.7725 -6.6725 -6.6401 -6.4395 -6.4012 -6.3753 -6.3569 -6.3400 -6.2899 -6.2503 -6.2047 -6.1441 -6.1101 -6.1065 -6.0661 -6.0351 -6.0215 -5.9996 -5.9652 -5.9474 -5.9268 -5.8998 -5.8917 -5.8657 -5.8473 -5.8195 -5.8004 -5.7683 -5.7599 -5.7493 -5.7172 -5.7068 -5.6737 -5.6592 -5.6400 -5.6311 -5.6150 -5.5986 -5.5641 -5.5415 -5.5179 -5.5099 -5.4967 -5.4673 -5.4486 -5.4256 -5.4007 -5.3731 -5.3528 -5.3174 -5.2971 -5.2570 -5.2444 -5.2287 -5.2066 -5.1812 -5.1492 -5.0977 -5.0705 -5.0460 -5.0210 -4.9852 -4.9753 -4.9530 -4.9113 -4.8966 -4.8498 -4.8067 -4.7966 -4.7572 -4.7253 -4.6850 -4.6489 -4.6250 -4.5830 -4.5474 -4.5112 -4.4807 -4.4321 -4.4261 -4.3596 -4.3208 -4.3037 -4.2701 -4.2265 -4.2153 -4.1833 -4.1330 -4.1032 -4.0804 -4.0482 -4.0063 -3.9889 -3.9492 -3.8928 -3.8571 -3.8319 -3.8036 -3.7685 -3.7288 -3.7055 -3.6777 -3.6280 -3.6127 -3.5795 -3.5498 -3.5258 -3.4784 -3.4677 -3.4461 -3.4296 -3.4190 -3.3724 -3.3506 -3.3156 -3.2903 -3.2690 -3.2629 -3.2441 -3.2172 -3.1624 -3.1365 -3.1192 -3.0700 -3.0510 -3.0317 -3.0119 -2.9829 -2.9553 -2.9016 -2.8876 -2.8543 -2.8167 -2.7705 -2.7353 -2.6982 -2.6731 -2.6426 -2.6250 -2.5995 -2.5774 -2.5332 -2.5011 -2.4866 -2.4263 -2.3912 -2.3605 -2.3182 -2.3112 -2.2637 -2.2361 -2.2169 -2.1670 -2.1414 -2.1101 -2.0872 -2.0416 -2.0049 -1.9642 -1.9107 -1.8776 -1.8293 -1.7968 -1.7514 -1.7003 -1.6908 -1.6355 -1.6001 -1.5717 -1.5147 -1.4832 -1.4186 -1.4019 -1.3858 -1.3511 -1.3373 -1.3077 -1.2705 -1.2432 -1.2345 -1.2179 -1.1913 -1.1712 -1.1557 -1.1318 -1.1069 -1.0667 -1.0545 -1.0447 -1.0275 -1.0072 -0.9803 -0.9589 -0.9203 -0.9117 -0.8784 -0.8500 -0.8324 -0.8141 -0.7874 -0.7572 -0.7278 -0.7199 -0.6767 -0.6202 -0.5693 -0.5529 -0.5355 -0.4888 -0.4781 -0.4516 -0.4343 -0.4038 -0.3928 -0.3538 -0.3328 -0.3085 -0.3013 -0.2847 -0.2736 -0.2136 -0.2071 -0.1873 -0.1593 -0.1364 -0.1305 -0.0991 -0.0839 -0.0520 -0.0382 -0.0321 -0.0074 0.0084 0.0194 0.0490 0.0765 0.0954 0.1185 0.1509 0.1754 0.1982 0.2254 0.2541 0.2773 0.2946 0.3260 0.3636 0.5639 0.6199 0.7293 0.8727 0.8922 0.9629 1.1015 1.1286 1.1565 1.1757 1.3656 1.4491 1.5065 1.5794 1.6270 1.6939 1.7609 1.8242 1.8960 1.9181 2.0470 2.2088 2.3267 2.7526 3.6484 3.8630 4.0123 4.0277 4.1018 4.6376 4.7113 4.7660 4.8837 4.9028 5.0365 5.1325 5.3664 5.4726 5.5762 5.6261 5.6691 5.7353 5.8401 5.9254 5.9501 6.0122 6.0501 6.1028 6.1509 6.2788 6.3894 6.5463 6.5655 6.6852 6.7683 6.8092 6.8215 6.8688 6.9515 7.0137 7.0953 7.1545 7.2186 7.2774 7.3419 7.4109 7.5267 7.5428 7.6208 7.6956 7.7943 7.9254 7.9452 8.0390 8.1430 8.1815</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 0.46389 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.99994 0.45917 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="33"
                          units="nonsi2:ev.angstrom-1">0.216663 -0.158654 -0.265357 -0.072011 -0.075651 -0.288127 0.108542 -0.031031 0.452441 0.038390 0.060237 0.141567 -0.012556 0.088850 -0.107912 -0.002010 0.080132 -0.175514 -0.009460 0.041812 0.093136 -0.019056 -0.029261 0.046940 -0.075886 0.011912 0.232744 0.118294 0.029608 -0.241789 -0.049711 0.151116 -0.319031 -0.001281 -0.160051 -0.077463 -0.062667 -0.157090 0.587484 0.066739 -0.157181 0.300720 -0.168969 0.157288 0.664438 -0.237766 0.028436 0.443171 -0.204015 -0.064704 -0.339497 0.242722 -0.078133 0.426506 0.220227 0.079283 0.489437 0.053443 0.227921 0.246233 -0.005324 0.156385 0.092897 -0.018458 0.039910 -0.103187 -0.072084 -0.083658 -0.037704 -0.066981 0.077758 0.126869 -0.078975 0.065391 0.687003 -0.054384 -0.044273 -0.117908 -0.011539 -0.076401 0.008302 0.023239 -0.050436 0.460492 0.061568 0.012742 -0.199353 0.052860 -0.009711 -0.086505 -0.112898 -0.110733 0.203180 0.046422 -0.020966 0.171513 0.033409 -0.007655 0.166800 0.094424 -0.062919 -0.102822 0.034340 0.019100 0.400785 0.059913 -0.131141 -0.200649 0.184048 0.119604 0.194950 -0.058897 -0.202397 -0.037202 -0.183198 0.054156 0.152374 -0.123202 0.039310 -0.135283 0.428895 -0.022419 -0.196537 -0.369051 0.010280 -0.673567 -0.007363 -0.214079 -0.260046 0.397743 -0.250927 -0.125490 -0.039583 -0.073343 -0.610350 0.084195 -0.084590 -0.018380 -0.072696 0.062537 0.279552 0.074407 0.077886 -0.116891 0.182236 0.541389 -0.441842 0.321131 0.169713 0.365435 -0.390146 -0.079522 -0.221495 0.362799 0.066875 0.423371 -0.047082 -0.209807 -0.171256 -0.404298 -0.156363 -0.170396 0.038372 -0.457305 -0.434623 -0.094952 -0.519406 0.298731 0.070614 0.343933 0.104742 -0.090193 0.017413 -0.860315 -0.168097 0.492660 0.416136 -0.356624 0.195698 -0.065653 0.528012 0.084940 -0.060988 -0.552219 -0.022499 -0.720319 -0.051306 0.115540 -0.107807 0.465653 0.240147 -0.167213 -0.081894 0.083705 -0.678744 0.000005 0.075820 0.039236 -0.094661 -0.061588 0.191992 0.337828 -0.059195 0.257236 0.540423 -0.398601 -0.450322 0.146420 -0.187869 0.399984 -0.498670 0.038376 0.784979 0.620598 -0.083245 -0.710629 0.034190 0.199760 0.119062 -0.521047 0.130903 0.037047 -0.042471 0.511891 -0.423374 -0.011714 0.486166 0.441681 0.077211 -0.358720 -0.070190 -0.115200 -0.001706 -0.573818 -0.514926 -0.333827 0.419876 -0.140456 -0.199523 -0.203492 0.085069 -0.101367 -0.173324 -0.066683 -0.070851 -0.277355 0.107712 -0.029678 0.459021 -0.061087 -0.015406 0.029372 0.001888 -0.017379 -0.082384 0.004197 0.046100 -0.215162 0.068422 0.038660 0.059826 0.026777 -0.024010 0.084220 -0.076146 0.011099 0.220031 0.065525 0.040675 -0.070899 -0.019499 0.070675 -0.109466 -0.006755 -0.120522 -0.083007 -0.065142 -0.157779 0.574603 0.025692 -0.063644 0.127020 -0.170296 0.159046 0.652310 -0.236002 0.025017 0.430831 -0.074085 -0.034617 -0.187134 0.240842 -0.080199 0.417406 0.218765 0.081220 0.475311 0.021855 0.120502 0.107066 -0.009377 0.058626 -0.031693 -0.014949 0.045383 -0.063342 -0.048354 -0.028362 -0.042036 -0.019854 0.057576 0.041896 -0.053863 0.051752 0.509420 -0.039684 -0.035875 -0.159848 -0.001137 -0.090141 0.074468 0.016515 -0.044881 0.350262 0.029127 0.016244 -0.139753 0.033205 0.024045 -0.090328 -0.074156 -0.086834 0.083904 -0.006073 -0.005200 0.177337 0.005781 -0.013545 0.063377 0.081334 -0.064645 -0.096091 -0.059280 -0.013104 0.214092 0.044270 -0.069193 -0.055864 0.091375 0.064257 0.130349 -0.039389 -0.062866 -0.093215 -0.085948 0.028655 0.158768 -0.081554 0.030082 -0.092059 0.393525 -0.049293 -0.174510 -0.106733 -0.012613 -0.361592 0.008018 -0.213154 -0.239324 0.190197 -0.209843 -0.025627 -0.037996 -0.072584 -0.609328 0.092910 -0.146404 0.032156 -0.044234 0.073899 0.199412 0.074036 0.082032 -0.116265 0.198836 0.375758 -0.145049 0.187913 0.079980 0.181452 -0.360245 -0.100897 -0.221363 0.099637 0.017323 0.183754 -0.064880 -0.205175 -0.110112 -0.193872 -0.100529 -0.071776 0.038388 -0.439901 -0.424447 -0.097710 -0.317773 0.156662 0.056752 0.198613 0.073308 -0.087711 0.021812 -0.877431 -0.212247 0.339765 0.254371 -0.208206 0.097818 -0.010181 0.495827 0.105516 0.021705 -0.431336 0.011405 -0.458908 -0.022916 0.147115 -0.153986 0.228145 0.207697 -0.023669 -0.082472 0.082248 -0.665846 0.000416 0.154798 0.086214 -0.015796 -0.072361 0.121333 0.310141 -0.057418 0.279346 0.493982 -0.245450 -0.353331 0.165621 -0.092421 0.309785 -0.468391 0.043198 0.746737 0.502894 -0.043209 -0.377540 0.009631 0.207797 0.080320 -0.288776 0.099766 0.052267 -0.043885 0.495342 -0.399925 0.003267 0.305647 0.284593 0.046225 -0.216102 -0.152865 -0.091030 -0.000928 -0.577421 -0.468490 -0.180526 0.272457 -0.128472 -0.110468 -0.163304 -0.150730 0.009565 -0.031035 -0.053580 -0.073677 -0.253296 0.119521 -0.027189 0.468085 -0.251201 -0.152130 -0.216932 0.044446 -0.261487 -0.064466 0.016186 -0.012741 -0.294186 0.193998 0.044575 -0.006445 0.095966 -0.025917 0.146931 -0.071842 0.007174 0.198123 -0.037696 0.067093 0.263562 0.026871 -0.073984 0.197221 -0.014413 -0.060608 -0.118419 -0.072714 -0.159611 0.552405 -0.053667 0.065945 -0.168575 -0.180820 0.161148 0.630596 -0.231368 0.025605 0.410753 0.140122 0.022386 0.055751 0.236722 -0.082342 0.403439 0.217419 0.082060 0.454877 -0.034074 -0.105029 -0.141190 -0.006278 -0.104849 -0.319291 -0.006541 0.052676 -0.027004 -0.016005 0.044865 -0.052232 0.038807 0.015633 -0.055085 -0.021345 0.029910 0.328824 -0.019567 -0.025456 -0.228791 0.018477 -0.103758 0.160383 0.003126 -0.032002 0.254738 -0.029543 0.025913 -0.080492 0.011906 0.073881 -0.087560 -0.017293 -0.055723 -0.086305 -0.071429 0.007723 0.165390 -0.040437 -0.024116 -0.041579 0.060974 -0.065913 -0.105413 -0.193671 -0.048935 -0.088192 0.018837 0.016429 0.143033 -0.072143 -0.014576 0.039349 -0.008967 0.148435 -0.255474 0.077840 -0.007921 0.165706 -0.012558 0.015973 -0.037326 0.340802 -0.081218 -0.125495 0.288159 -0.044092 0.116606 0.040556 -0.209453 -0.184964 -0.114440 -0.112393 0.123242 -0.032295 -0.070926 -0.602205 0.107605 -0.249033 0.119595 0.009018 0.080588 0.072089 0.070306 0.080762 -0.109644 0.224480 0.163003 0.308499 0.012045 -0.059350 -0.091631 -0.316507 -0.136690 -0.222438 -0.284083 -0.069718 -0.220095 -0.096893 -0.199261 -0.010481 0.116386 -0.018875 0.075364 0.034739 -0.402143 -0.404773 -0.114992 -0.075866 -0.087184 0.035522 -0.022042 0.034090 -0.078961 0.024122 -0.902541 -0.311000 0.132905 0.010669 0.054163 -0.085582 0.109129 0.449357 0.128045 0.147370 -0.257484 0.052985 -0.028424 0.026636 0.194845 -0.229756 -0.109208 0.134610 0.229494 -0.084668 0.078588 -0.642928 0.003676 0.302561 0.161540 0.120818 -0.084971 0.006931 0.258523 -0.049705 0.322014 0.450286 0.045825 -0.203259 0.197830 0.056819 0.195441 -0.420547 0.052888 0.699953 0.315582 0.026155 0.160245 -0.030538 0.218924 0.020499 0.037773 0.063868 0.086985 -0.050769 0.457878 -0.397557 0.034836 0.132245 0.065452 -0.009213 0.020210 -0.258568 -0.048281 0.001185 -0.575623 -0.434308 0.080658 0.034021 -0.088247 0.042624 -0.081541 -0.065973 0.023657 0.051109 -0.041279 -0.079300 -0.225291 0.136797 -0.024849 0.459424 -0.010868 0.009083 -0.130734 -0.005289 -0.110313 -0.014730 0.057293 -0.005673 -0.351570 -0.056581 0.000430 -0.011803 0.033867 -0.028546 0.074298 -0.068787 0.006572 0.185114 -0.040541 0.004032 0.108892 -0.002878 0.008650 0.099221 0.036732 -0.062321 -0.101158 -0.072920 -0.159063 0.539404 -0.028047 -0.005103 -0.060250 -0.192165 0.161319 0.619709 -0.225028 0.031730 0.408898 0.091058 0.025350 0.061690 0.229412 -0.087341 0.374760 0.213841 0.087334 0.437218 0.009531 -0.002277 -0.012140 -0.003762 -0.007772 -0.132707 -0.013758 0.047973 -0.037234 -0.022756 0.042754 0.026903 -0.011570 -0.005466 -0.046568 0.002848 0.019512 0.234454 -0.015500 -0.035613 -0.235629 -0.022747 -0.093648 0.143300 0.011508 -0.029956 0.156446 -0.023552 0.009771 -0.090841 0.035800 0.058185 -0.020283 -0.007879 -0.018927 -0.044703 -0.061315 -0.025383 0.127301 -0.033556 0.006032 -0.008992 0.054621 -0.052180 -0.105943 -0.060275 -0.000025 -0.001917 -0.040742 -0.009591 0.094779 -0.056270 -0.035993 0.013272 -0.012661 0.041129 -0.069589 0.068972 -0.017687 0.120393 -0.023848 0.032184 -0.081945 0.382597 -0.044915 -0.043192 0.154624 -0.011986 -0.030737 0.023816 -0.176668 -0.171910 -0.084697 -0.188176 0.102890 -0.032120 -0.064526 -0.609187 0.094132 -0.174253 0.075468 0.006766 0.055150 0.111675 0.056966 0.081699 -0.097728 0.085177 0.073474 0.187303 -0.007751 -0.057567 -0.062967 -0.340987 -0.128147 -0.183542 -0.199738 -0.059169 -0.093158 -0.082125 -0.184638 0.003783 0.106456 0.032116 0.029170 0.030700 -0.390778 -0.393369 -0.100431 -0.149359 -0.069268 0.032177 0.002042 0.049046 -0.066819 0.022611 -0.918442 -0.105789 0.075369 0.020245 0.052298 -0.041078 0.055759 0.435281 0.093843 0.155022 -0.223905 0.004904 -0.023042 0.006088 0.167453 -0.222230 -0.070051 0.221977 0.090841 -0.084371 0.072507 -0.630866 -0.019477 0.221572 0.063012 0.046018 -0.044507 0.004084 0.220416 -0.049532 0.348943 0.425702 -0.012742 -0.115831 0.137712 0.062939 0.156935 -0.396749 0.023347 0.627585 0.131760 0.032847 0.207195 -0.006016 0.216247 0.072631 0.118224 -0.037536 0.027528 -0.060483 0.442151 -0.428580 0.043150 0.125390 0.028425 0.015624 0.009969 -0.166709 -0.020391 0.002755 -0.575695 -0.400482 0.033047 -0.061482 -0.065030 0.023499 -0.072165 0.064749 0.048803 0.185371 -0.019425 -0.082738 -0.162974 0.166432 -0.014065 0.443075 0.524030 0.295666 0.023915 -0.121120 0.236701 0.028005 0.131558 0.004911 -0.447849 -0.492027 -0.080055 -0.037967 -0.084962 -0.026982 -0.040634 -0.054086 -0.001108 0.171843 -0.049046 -0.106508 -0.113529 -0.027720 0.172499 -0.061296 0.118613 -0.063445 -0.081577 -0.077044 -0.167299 0.517916 0.004169 -0.120938 0.107173 -0.210572 0.170112 0.600713 -0.216216 0.039380 0.405172 0.013330 0.027445 0.072784 0.219600 -0.093841 0.327987 0.205550 0.094264 0.408681 0.058674 0.201946 0.185949 -0.010545 0.155289 0.180080 -0.024805 0.043270 -0.051493 -0.034050 0.017147 0.154325 -0.081348 -0.053282 -0.034319 0.038666 0.006307 0.082272 -0.012249 -0.057035 -0.234831 -0.088249 -0.073176 0.112568 0.018471 -0.032362 0.030856 -0.013377 -0.017752 -0.119046 0.068701 0.019491 0.090871 0.017906 0.028943 0.023699 -0.039628 -0.092277 0.052699 -0.008772 0.057087 0.036439 0.049020 -0.029596 -0.112216 0.154244 0.084167 0.120259 -0.162475 -0.058969 0.011327 -0.029135 -0.068133 -0.026951 -0.012270 -0.106535 0.228557 0.054869 -0.031399 0.051777 -0.042968 0.063722 -0.145310 0.440794 0.007414 0.056883 -0.069921 0.039431 -0.234036 -0.003542 -0.128417 -0.156959 -0.038757 -0.248038 0.062637 -0.031345 -0.049579 -0.615762 0.069882 -0.013810 -0.012540 0.000639 0.007825 0.166798 0.031654 0.080211 -0.077904 -0.110871 -0.118081 -0.015692 -0.039009 -0.054791 0.006409 -0.369371 -0.113671 -0.126095 -0.067768 -0.035319 0.089749 -0.060099 -0.166246 0.021830 0.090793 0.112791 -0.047168 0.019169 -0.351307 -0.369622 -0.068512 -0.276764 -0.059824 0.027687 0.044237 0.075716 -0.045675 0.018918 -0.936667 0.242997 -0.053555 0.020885 0.052191 0.031370 -0.022130 0.421409 0.044060 0.149701 -0.203413 -0.079014 -0.024803 -0.021947 0.125878 -0.207866 -0.015977 0.310275 -0.130984 -0.084275 0.057795 -0.607918 -0.056386 0.012952 -0.093776 -0.067340 0.023042 0.005624 0.137558 -0.049951 0.383287 0.264695 -0.084660 0.068542 0.032699 0.076508 0.116139 -0.354992 -0.029056 0.502498 -0.298114 0.038777 0.311100 0.022724 0.216267 0.153399 0.261515 -0.207895 -0.082748 -0.075538 0.392626 -0.457739 0.060255 0.090701 -0.043194 0.068520 -0.004070 -0.004912 0.042835 0.004969 -0.578928 -0.187014 -0.049261 -0.221884 -0.014643 -0.012217 -0.046365 0.050729 0.043806 0.081326 -0.009807 -0.085367 -0.089305 0.183231 -0.002848 0.437875 -0.028203 0.111549 0.083549 0.031689 0.186228 0.103834 0.184336 -0.000200 -0.472044 -0.126290 0.014804 -0.020489 -0.108577 -0.062735 -0.071394 -0.039081 -0.010098 0.177783 0.030033 -0.089338 -0.144511 -0.013634 0.130003 -0.040347 0.131806 -0.048222 -0.067396 -0.084892 -0.174695 0.508288 0.030034 -0.025975 0.128126 -0.222005 0.177693 0.594499 -0.213199 0.041981 0.399095 -0.022768 0.044954 0.086902 0.216469 -0.094267 0.311465 0.203452 0.094752 0.397963 0.011553 0.144711 0.117316 -0.006747 0.113876 0.206266 -0.026148 0.040022 -0.064075 -0.024581 -0.040686 0.154920 -0.077436 -0.014969 0.007516 0.032343 -0.026027 -0.027753 -0.013606 -0.060107 -0.236581 -0.109287 -0.058794 0.127757 0.027923 -0.004959 0.016045 -0.004628 -0.031624 -0.134921 0.049795 -0.004297 0.075398 -0.048810 -0.023807 0.061377 0.043635 -0.040411 0.053050 0.036619 0.051739 0.003085 0.050858 -0.013105 -0.139795 0.122794 0.039572 0.081870 -0.038408 -0.052310 -0.051815 0.011107 -0.053772 -0.003097 -0.028283 -0.092710 0.211213 0.011450 -0.055171 0.010209 -0.040799 0.068890 -0.131345 0.458415 0.012073 0.136845 -0.074110 0.010557 -0.153500 -0.018503 -0.111887 -0.134138 -0.044249 -0.143660 0.039040 -0.028427 -0.040591 -0.617599 0.058371 0.080771 -0.046235 -0.007873 -0.021174 0.136344 0.020225 0.074923 -0.068999 -0.168993 -0.103274 -0.083967 -0.070185 -0.002141 0.002816 -0.373775 -0.120645 -0.052194 -0.000045 -0.029348 0.094771 -0.049480 -0.150370 0.052231 0.046249 0.138573 -0.067940 0.008762 -0.294975 -0.354697 -0.037948 -0.180080 -0.017236 0.019268 0.067310 0.057924 -0.037734 0.017413 -0.937133 0.193846 -0.134485 -0.038230 0.035443 0.032664 -0.027616 0.423439 0.043655 0.175655 0.065922 -0.026136 -0.025171 -0.021037 0.111355 -0.188202 -0.080091 0.178176 -0.119208 -0.084758 0.049951 -0.597074 0.009011 -0.044224 -0.148798 -0.037352 0.052977 0.050141 0.075648 -0.046302 0.394235 -0.165327 -0.006693 0.115248 -0.065980 0.035051 0.115976 -0.340463 -0.046046 0.385593 -0.188755 0.033535 0.273286 0.015090 0.206457 0.163687 0.098092 -0.148215 -0.040009 -0.085048 0.330202 -0.457881 -0.040341 0.027259 -0.074445 0.008793 -0.049659 0.074359 0.091195 0.006827 -0.562166 0.124676 0.056616 -0.217388 0.095358 -0.004525 0.019820 0.049430 0.042339 0.076562 -0.016377 -0.088126 -0.108784 0.171261 -0.009271 0.444923 -0.063552 0.100677 0.078458 0.051444 0.180858 0.156497 0.193884 0.001672 -0.464478 -0.107516 0.032138 -0.034749 -0.109930 -0.074194 -0.087429 -0.054768 -0.003789 0.180728 0.033185 -0.091101 -0.149694 -0.022739 0.125912 -0.039106 0.132208 -0.048831 -0.060073 -0.073846 -0.165957 0.513603 0.030109 -0.022388 0.129494 -0.214937 0.169237 0.600848 -0.214104 0.042414 0.402750 -0.023488 0.044658 0.087115 0.216708 -0.097383 0.313547 0.206106 0.097768 0.401053 0.018854 0.140372 0.115630 -0.007048 0.112848 0.208084 -0.037311 0.039898 -0.047546 -0.018065 -0.047328 0.153134 -0.075353 -0.012541 0.010012 0.032288 -0.027818 -0.032142 -0.012059 -0.059298 -0.233963 -0.109216 -0.058604 0.135831 0.028249 -0.003064 0.013939 -0.005875 -0.021230 -0.111368 0.043179 -0.005670 0.074517 -0.051048 -0.027366 0.061815 0.048272 -0.036225 0.053871 0.039050 0.053141 0.001730 0.049763 -0.026244 -0.116883 0.121544 0.035612 0.080129 -0.033421 -0.054373 -0.050359 0.012201 -0.051438 -0.001549 -0.028299 -0.092460 0.212516 0.010762 -0.054799 0.007182 -0.041797 0.068264 -0.125360 0.459908 0.012431 0.135578 -0.072976 0.009859 -0.151218 -0.020769 -0.109003 -0.135889 -0.047178 -0.138966 0.039141 -0.032693 -0.044251 -0.627053 0.058018 0.084814 -0.043521 -0.009353 -0.020200 0.134850 0.025670 0.079660 -0.071838 -0.180405 -0.102541 -0.090175 -0.074695 0.001474 0.002804 -0.375559 -0.119503 -0.064907 0.004350 -0.026247 0.103482 -0.049067 -0.149284 0.051493 0.043739 0.139046 -0.069328 0.019982 -0.333543 -0.365670 -0.038210 -0.095697 -0.012469 0.019839 0.062166 0.062398 -0.042389 0.018302 -0.943528 0.197977 -0.141238 -0.043964 0.037814 0.033714 -0.027812 0.423240 0.043434 0.172876 0.084067 -0.024096 -0.022458 -0.024133 0.108532 -0.194780 -0.081841 0.171177 -0.118270 -0.085808 0.053173 -0.601572 0.012758 -0.046146 -0.152731 -0.036034 0.053712 0.051368 0.097307 -0.048871 0.383613 -0.208956 -0.002927 0.115508 -0.070371 0.030914 0.114625 -0.339057 -0.041594 0.338229 -0.186855 0.031539 0.284061 0.019531 0.206205 0.160353 0.088361 -0.146719 -0.038563 -0.074885 0.370540 -0.472606 -0.042262 -0.051254 -0.062170 0.006373 -0.045544 0.076683 0.066913 0.006044 -0.575161 0.161168 0.067493 -0.214052 0.098732 -0.004912 0.022187 0.004900 0.016886 0.013917 -0.020237 -0.089065 -0.116938 0.170053 -0.009571 0.449769 -0.027889 -0.005352 0.038223 -0.088211 -0.045714 0.016611 0.192677 -0.005771 -0.433384 0.030998 -0.014036 0.020108 -0.032876 -0.006402 -0.026138 -0.050445 -0.003205 0.188459 0.032205 -0.011376 -0.050343 0.013225 -0.018650 0.005607 0.094260 -0.040231 -0.048120 -0.078396 -0.165372 0.516236 0.014899 0.037314 0.035873 -0.212510 0.168731 0.603731 -0.214563 0.042229 0.399403 0.009321 0.040012 0.060850 0.217528 -0.090508 0.329344 0.207641 0.091197 0.405448 -0.027389 -0.020970 -0.001403 0.005541 0.006012 0.043992 -0.031424 0.039571 -0.073669 -0.002702 -0.026980 0.061288 -0.069847 -0.004094 0.032746 0.012994 -0.015987 -0.017657 -0.010586 -0.044442 -0.235552 -0.082214 -0.059071 0.149364 0.025524 0.009624 0.036161 -0.015527 -0.012940 -0.108040 0.035382 0.020973 0.024475 -0.044944 -0.021823 0.032622 0.016152 -0.013120 0.074003 0.011823 0.016967 0.025539 0.045217 -0.034058 -0.133176 0.026219 0.012048 0.012163 0.017414 -0.010407 -0.012555 0.013365 -0.021558 0.008533 -0.017257 -0.017144 0.003821 0.007308 -0.046488 0.037649 -0.029487 0.048812 -0.090154 0.443194 -0.011389 0.141219 0.008838 -0.004743 0.032408 -0.012176 -0.125540 -0.134796 -0.059464 -0.065371 0.069955 -0.029545 -0.047179 -0.616081 0.050247 0.045136 -0.021252 -0.009732 -0.015627 0.084664 0.032672 0.075868 -0.078225 -0.056997 -0.034852 0.005055 -0.069343 -0.000123 -0.034674 -0.371791 -0.131447 -0.045461 -0.041148 -0.027534 -0.015637 -0.056487 -0.142689 0.061120 0.010423 0.071349 -0.020111 0.017332 -0.337074 -0.367561 -0.045968 -0.026339 0.024942 0.015948 0.014603 0.026106 -0.049929 0.018571 -0.943949 0.030310 -0.074859 -0.039012 0.051166 0.004171 0.003561 0.427584 0.073135 0.203108 0.049720 0.018053 0.029597 -0.001208 0.127196 -0.202951 -0.085313 0.068610 0.014256 -0.086810 0.056874 -0.606981 0.004195 0.027105 -0.075614 0.004959 0.026440 0.054139 0.096232 -0.044590 0.386640 -0.077221 0.084275 0.063895 -0.045766 0.014033 0.105625 -0.353291 -0.025744 0.382359 -0.076566 0.022318 0.170022 -0.003777 0.196810 0.140269 0.016535 -0.051741 -0.007016 -0.074895 0.374502 -0.464802 -0.014280 0.047280 -0.051186 -0.018913 -0.025958 0.049940 0.070858 0.007215 -0.556296 0.077512 0.111257 -0.077698 0.084756 0.011956 0.031613 -0.008481 0.008079 -0.004888 -0.019848 -0.089829 -0.092915 0.173890 -0.008107 0.449283 -0.014969 -0.033536 0.028163 -0.124818 -0.107482 -0.028797 0.186500 -0.008031 -0.426183 0.068516 -0.030068 0.034606 -0.015257 0.015630 -0.009183 -0.045847 -0.004218 0.192473 0.033804 0.014362 -0.022152 0.023458 -0.052488 0.016473 0.083257 -0.038867 -0.047241 -0.079422 -0.168398 0.515116 0.011511 0.053584 0.015077 -0.214674 0.171677 0.602356 -0.216493 0.042089 0.395385 0.017513 0.039242 0.054734 0.219587 -0.091617 0.331708 0.206969 0.092258 0.406447 -0.041361 -0.062745 -0.033882 0.010055 -0.022765 -0.001610 -0.026054 0.039707 -0.084768 -0.001428 -0.020088 0.037015 -0.068801 -0.001614 0.038600 0.007177 -0.013643 -0.013971 -0.009248 -0.040774 -0.236094 -0.075699 -0.059744 0.150939 0.024841 0.012969 0.042567 -0.018266 -0.016407 -0.114519 0.036289 0.027989 0.009406 -0.042512 -0.019762 0.026221 0.008372 -0.007224 0.078329 0.004620 0.006633 0.032536 0.043426 -0.032266 -0.145741 0.001366 0.006577 -0.005781 0.027208 0.001263 -0.003924 0.014270 -0.014491 0.012066 -0.013642 0.001500 -0.053697 0.005697 -0.044849 0.046825 -0.025928 0.044716 -0.082468 0.431745 -0.016762 0.143175 0.033435 -0.010242 0.087434 -0.006590 -0.130669 -0.134139 -0.061509 -0.043185 0.077580 -0.030245 -0.046791 -0.622043 0.050470 0.032326 -0.004622 -0.008467 -0.014760 0.069053 0.031693 0.073756 -0.077980 -0.018138 -0.017433 0.030108 -0.066118 -0.000338 -0.045705 -0.363713 -0.134819 -0.034992 -0.053887 -0.030797 -0.050234 -0.062131 -0.142390 0.068896 0.000502 0.051162 -0.011991 0.014245 -0.315848 -0.365173 -0.048117 -0.024293 0.034900 0.015207 0.001754 0.015143 -0.049660 0.018711 -0.934605 -0.020515 -0.059952 -0.043295 0.055822 -0.004096 0.011801 0.429061 0.079211 0.211363 0.038898 0.028372 0.046322 0.004685 0.133101 -0.203244 -0.085779 0.040107 0.051699 -0.086778 0.056446 -0.607207 0.003233 0.045790 -0.053342 0.016408 0.021803 0.055015 0.087097 -0.042726 0.391890 -0.043245 0.106491 0.049659 -0.040356 0.009885 0.102016 -0.357123 -0.021245 0.380540 -0.050852 0.024439 0.140177 -0.009985 0.195295 0.136112 -0.002263 -0.023541 -0.000495 -0.077614 0.354058 -0.461112 -0.005109 0.090054 -0.048938 -0.026147 -0.022472 0.044849 0.082407 0.007603 -0.546180 0.054758 0.125975 -0.045010 0.079099 0.016760 0.034061 -0.032140 -0.003495 -0.038081 -0.022377 -0.091324 -0.076942 0.174252 -0.008095 0.451499 0.005421 -0.092422 0.010181 -0.187377 -0.243415 -0.100115 0.182062 -0.011812 -0.408600 0.136541 -0.052437 0.058871 0.021086 0.055732 0.021521 -0.042990 -0.003643 0.198625 0.031645 0.056663 0.032560 0.043913 -0.122327 0.040646 0.062843 -0.035066 -0.042406 -0.081270 -0.167588 0.516157 0.002799 0.085445 -0.034008 -0.213726 0.170928 0.603401 -0.217054 0.040923 0.392750 0.033317 0.036072 0.044088 0.220253 -0.089809 0.339731 0.207537 0.090499 0.409186 -0.065862 -0.142311 -0.099780 0.017790 -0.079608 -0.091985 -0.021563 0.039822 -0.100134 0.006179 -0.009004 -0.011527 -0.066044 0.004786 0.051405 -0.003007 -0.007581 -0.006999 -0.007801 -0.032858 -0.237008 -0.061454 -0.060294 0.157185 0.023631 0.019998 0.054170 -0.023565 -0.014777 -0.116471 0.032232 0.041388 -0.017420 -0.038690 -0.017785 0.011361 -0.008466 0.005649 0.088013 -0.009759 -0.012078 0.047477 0.040491 -0.034803 -0.157544 -0.048482 -0.007862 -0.039863 0.049398 0.023609 0.012795 0.015681 0.001541 0.017646 -0.004699 0.042331 -0.174426 0.004015 -0.039971 0.063154 -0.019249 0.034700 -0.065725 0.421310 -0.029223 0.144080 0.080914 -0.017175 0.193474 -0.000401 -0.139782 -0.135533 -0.066119 0.001347 0.093493 -0.029575 -0.048168 -0.620755 0.050364 0.011900 0.010755 -0.007501 -0.011117 0.038996 0.033917 0.071390 -0.080634 0.040423 0.016530 0.078214 -0.062163 -0.000405 -0.066706 -0.360519 -0.140748 -0.023267 -0.080924 -0.034276 -0.111109 -0.068019 -0.139356 0.076794 -0.018989 0.011661 0.013936 0.012331 -0.303698 -0.365629 -0.052248 0.016937 0.053503 0.013359 -0.022733 -0.000939 -0.052459 0.018776 -0.932341 -0.108013 -0.030499 -0.043592 0.061891 -0.020680 0.031100 0.431659 0.094470 0.224775 0.019264 0.050149 0.085388 0.017069 0.143326 -0.207718 -0.086415 -0.014916 0.123051 -0.087385 0.058049 -0.609815 -0.001757 0.083297 -0.012736 0.040895 0.005887 0.055962 0.083434 -0.040175 0.394892 0.019112 0.156962 0.018853 -0.029712 0.000417 0.099888 -0.364514 -0.012090 0.383370 -0.003405 0.019303 0.084252 -0.022999 0.190716 0.125675 -0.034801 0.024283 0.014860 -0.078509 0.343523 -0.453848 0.011512 0.140951 -0.042241 -0.039485 -0.009974 0.032392 0.089012 0.008259 -0.533878 0.018603 0.150947 0.020658 0.075332 0.026213 0.038994 -0.015750 0.007328 -0.016095 -0.016044 -0.088952 0.002424 0.190805 -0.000588 0.439616 -0.006022 -0.054117 0.029016 -0.158228 -0.156592 -0.101761 0.170285 -0.011607 -0.420766 0.090491 -0.049660 0.055133 -0.002831 0.036263 0.011145 -0.024547 -0.009285 0.191532 0.033134 0.033077 0.000746 0.037928 -0.071999 0.024987 0.077457 -0.035993 -0.055123 -0.094798 -0.171936 0.507891 0.009074 0.065821 -0.002518 -0.223691 0.175251 0.594216 -0.214996 0.040476 0.387713 0.022389 0.041229 0.050801 0.219395 -0.087012 0.330284 0.202979 0.087662 0.404143 -0.056413 -0.086758 -0.059540 0.014330 -0.043851 -0.033490 -0.010415 0.039870 -0.103520 -0.004758 -0.013005 0.022280 -0.068890 0.000113 0.041306 0.003331 -0.011238 -0.013393 -0.010632 -0.039798 -0.240488 -0.073153 -0.058632 0.142196 0.025010 0.014926 0.047930 -0.018110 -0.032968 -0.146351 0.041708 0.031778 0.000417 -0.041572 -0.018171 0.022620 0.002546 -0.005820 0.080678 -0.000997 -0.002529 0.033072 0.043744 -0.017982 -0.181646 -0.015914 0.004477 -0.018869 0.036213 0.012180 -0.004158 0.016597 -0.011739 0.013575 -0.011723 0.016455 -0.099725 0.003539 -0.045544 0.052576 -0.022098 0.042600 -0.084040 0.428250 -0.021463 0.151693 0.048708 -0.013437 0.120747 -0.001677 -0.135221 -0.131492 -0.060308 -0.026108 0.081399 -0.023950 -0.042406 -0.608737 0.049353 0.027455 -0.004166 -0.008066 -0.013968 0.057229 0.020299 0.066864 -0.072892 0.007585 -0.005603 0.047678 -0.061584 -0.001940 -0.053015 -0.361821 -0.138111 -0.007433 -0.063213 -0.033548 -0.079877 -0.064544 -0.143137 0.076489 -0.007241 0.039385 -0.004867 -0.000642 -0.224477 -0.351687 -0.047048 -0.088395 0.035549 0.016067 0.002399 0.004151 -0.039230 0.017562 -0.923156 -0.056142 -0.045981 -0.039552 0.053870 -0.010794 0.019221 0.432301 0.084867 0.218729 0.034064 0.036393 0.060817 0.013950 0.138189 -0.194699 -0.091154 0.020903 0.073087 -0.086096 0.052411 -0.601503 0.000650 0.058627 -0.039294 0.024914 0.016697 0.055718 0.064169 -0.037956 0.408889 -0.007804 0.122250 0.034351 -0.037277 0.008240 0.105335 -0.360291 -0.018304 0.349038 -0.034747 0.022052 0.129434 -0.021488 0.194779 0.137890 -0.013106 -0.005911 0.005747 -0.088912 0.263717 -0.435108 -0.000166 0.182545 -0.064022 -0.030517 -0.026084 0.045142 0.113571 0.009073 -0.522586 0.029209 0.124483 -0.026986 0.080695 0.020222 0.037922 0.002250 -0.005441 0.001745 -0.019683 -0.087675 -0.037497 0.187716 -0.001966 0.443013 -0.002200 -0.001900 -0.010727 0.073916 0.027616 0.015661 0.162472 0.003307 -0.416044 0.008093 -0.006757 0.014672 0.024220 0.017936 0.014661 -0.028872 -0.008475 0.198807 -0.004671 0.017439 0.033257 0.018540 -0.012026 0.011784 0.073310 -0.045755 -0.052046 -0.091664 -0.171438 0.511266 0.007259 0.025364 -0.016841 -0.221915 0.174202 0.597656 -0.215641 0.041525 0.386209 0.009371 0.011575 0.033023 0.219650 -0.087080 0.331697 0.206095 0.087542 0.406393 -0.036746 -0.037333 -0.033592 0.002395 -0.005189 -0.048135 -0.014945 0.043216 -0.101962 0.012715 0.009210 0.000741 -0.041957 -0.003585 0.051609 0.004487 0.007648 0.000010 -0.007297 -0.044157 -0.239053 -0.069623 -0.062570 0.124438 0.018066 0.005243 0.059904 -0.016109 -0.029177 -0.147589 0.008588 0.004091 -0.002808 -0.022994 -0.005070 0.021773 -0.025961 0.012863 0.061509 -0.003601 -0.004923 0.038029 0.041566 -0.027584 -0.157004 -0.015165 -0.004679 0.005185 -0.004443 -0.000527 0.006604 0.004677 0.006038 0.013493 0.006752 0.015383 -0.049757 0.009517 -0.014328 0.061899 -0.026086 0.044957 -0.098316 0.429607 -0.021066 0.137906 0.020023 0.002972 0.072562 0.000925 -0.136220 -0.148935 -0.040535 -0.002597 0.081429 -0.027188 -0.044322 -0.609537 0.047940 0.005617 0.008324 -0.004391 -0.010465 0.044383 0.025321 0.068038 -0.075500 0.043931 0.006246 0.045319 -0.037040 -0.010000 -0.037429 -0.368316 -0.142564 0.000891 -0.039651 -0.003298 -0.082601 -0.066476 -0.133549 0.075585 -0.007849 -0.000805 0.017403 0.005095 -0.252072 -0.359227 -0.061207 -0.036686 0.029313 0.013864 -0.009049 -0.005855 -0.044954 0.017969 -0.926705 -0.064689 -0.002260 -0.001331 0.044371 -0.000256 0.015858 0.435666 0.093289 0.216987 0.005867 0.022168 0.043897 0.015390 0.138197 -0.190713 -0.031574 -0.012119 0.058589 -0.087574 0.053946 -0.604189 -0.013875 0.017115 0.004652 0.007507 0.005918 0.037985 0.066309 -0.040257 0.398559 -0.056597 -0.000567 -0.014458 -0.015962 0.003256 0.103017 -0.378966 -0.021246 0.346309 -0.001647 -0.009428 0.031883 -0.021540 0.183905 0.137826 0.001524 0.009838 -0.004989 -0.084235 0.288830 -0.446947 -0.003216 0.035620 -0.021314 -0.007535 -0.005845 0.043775 0.110356 0.008098 -0.522029 -0.091681 0.041071 0.035284 0.050920 0.005051 0.030356 0.009015 -0.011106 0.010040 -0.023808 -0.088671 -0.048136 0.180833 -0.005012 0.446787 -0.002338 0.018961 -0.037471 0.182618 0.104257 0.080295 0.159887 0.011060 -0.410422 -0.028804 0.017120 -0.006427 0.035297 0.004190 0.013679 -0.037647 -0.005051 0.203102 -0.021037 0.010438 0.046676 0.007651 0.014331 0.005372 0.071041 -0.050687 -0.049017 -0.084157 -0.166783 0.514508 0.006864 0.009450 -0.021070 -0.216775 0.169828 0.600769 -0.215571 0.042005 0.387143 0.004215 -0.000615 0.027655 0.219112 -0.088650 0.333787 0.207922 0.089357 0.408453 -0.024434 -0.014773 -0.022097 -0.002738 0.013279 -0.053416 -0.020421 0.045158 -0.094331 0.021138 0.018257 -0.009538 -0.028181 -0.004140 0.056277 0.005201 0.016316 0.006343 -0.005536 -0.045292 -0.237336 -0.066602 -0.064447 0.118874 0.015451 0.001482 0.064662 -0.015561 -0.025246 -0.140215 -0.006528 -0.007075 -0.003885 -0.014334 0.000398 0.021504 -0.036918 0.020317 0.056663 -0.004691 -0.005991 0.041009 0.040467 -0.035257 -0.138632 -0.014567 -0.009820 0.015676 -0.022471 -0.006746 0.013835 -0.001635 0.014380 0.013769 0.013885 0.013638 -0.028918 0.012780 -0.000674 0.065464 -0.028345 0.045827 -0.103175 0.432762 -0.019595 0.129905 0.008553 0.008862 0.048563 0.002862 -0.135345 -0.158045 -0.034462 0.008845 0.084653 -0.029947 -0.046028 -0.615580 0.045708 -0.005733 0.017329 -0.002894 -0.009663 0.039114 0.029521 0.070940 -0.077530 0.056684 0.013847 0.042083 -0.027287 -0.010570 -0.028726 -0.374768 -0.144774 -0.000127 -0.029747 0.010017 -0.083705 -0.068514 -0.129013 0.073679 -0.006972 -0.016572 0.025616 0.010697 -0.285335 -0.364093 -0.067837 0.010272 0.028968 0.015058 -0.017247 -0.008187 -0.049284 0.018882 -0.931442 -0.066003 0.013822 0.012770 0.040485 0.004063 0.013874 0.437046 0.095882 0.214075 -0.008152 0.014966 0.037606 0.016009 0.137191 -0.191980 -0.011553 -0.029048 0.053003 -0.087745 0.055641 -0.606991 -0.019067 0.000732 0.019555 0.000070 -0.000500 0.028454 0.075707 -0.042586 0.391566 -0.085118 -0.055560 -0.037508 -0.005057 0.000085 0.096892 -0.387005 -0.018791 0.313613 0.015100 -0.023422 0.002787 -0.021260 0.179319 0.136664 0.006085 0.018930 -0.010239 -0.079504 0.322830 -0.454386 -0.002137 -0.055032 0.000917 0.002992 0.004690 0.046406 0.099959 0.007457 -0.524684 -0.134251 0.006638 0.062816 0.032990 -0.003109 0.024059 0.013519 -0.003470 0.011682 -0.027346 -0.089393 -0.058031 0.175696 -0.006789 0.448492 0.020042 0.022738 0.032129 -0.184866 0.017438 0.046871 0.169642 0.015062 -0.394983 -0.051901 0.021492 -0.011216 -0.004130 0.001688 0.028876 -0.042320 -0.002657 0.209806 -0.020565 -0.000488 0.005232 -0.019771 0.016661 -0.000381 0.075804 -0.057347 -0.045842 -0.079816 -0.165581 0.516335 -0.010517 -0.009580 -0.012293 -0.212835 0.168830 0.601449 -0.216078 0.040107 0.387750 -0.006293 -0.014910 0.022066 0.219130 -0.090542 0.331790 0.207983 0.091509 0.408332 0.013398 0.038899 0.023241 0.000787 0.031255 0.005140 -0.024552 0.047125 -0.096895 0.016836 0.000176 0.012914 -0.011205 -0.002880 0.039616 0.004100 0.014531 0.017960 -0.003854 -0.048215 -0.231570 -0.070651 -0.064763 0.118068 0.004118 -0.004820 0.062446 -0.017315 -0.018344 -0.125834 0.003261 0.007788 -0.004472 0.006467 -0.002440 0.013955 -0.024054 0.017615 0.031093 0.007860 -0.011040 0.033872 0.037687 -0.041069 -0.128233 -0.008943 0.002013 0.032567 -0.024208 0.004160 0.013015 -0.004820 0.014931 0.023587 0.007733 -0.001304 0.039548 0.010394 0.012099 0.050113 -0.031590 0.049176 -0.115625 0.439045 -0.014731 0.125980 -0.025582 0.007410 -0.029786 0.007415 -0.129815 -0.176466 0.000076 0.002542 0.057321 -0.033082 -0.046562 -0.621751 0.029019 -0.000388 0.021968 -0.004337 -0.000368 0.039595 0.031066 0.072535 -0.078118 0.016874 0.007809 0.003691 -0.006474 -0.007329 0.017418 -0.380963 -0.148371 -0.001858 0.010792 0.021104 0.002303 -0.074502 -0.129314 0.075935 -0.002138 -0.023443 0.019757 0.015142 -0.304442 -0.367980 -0.040173 0.063435 0.024739 0.014201 -0.008074 -0.002688 -0.051200 0.019243 -0.932576 -0.006967 0.026660 0.018962 0.010563 0.009666 0.001838 0.433647 0.095476 0.202958 -0.022059 -0.002223 -0.021180 0.012293 0.125675 -0.197674 0.012214 -0.017152 0.017451 -0.088094 0.056405 -0.607379 -0.031951 -0.023120 0.033010 -0.007220 0.000272 0.015860 0.083233 -0.043910 0.390444 0.067652 -0.057024 -0.029606 0.012668 -0.011331 0.089870 -0.381683 -0.008536 0.313065 0.019057 -0.026186 -0.013102 -0.019518 0.182416 0.141637 0.000800 0.028757 -0.003195 -0.076568 0.342955 -0.450043 0.019315 -0.040150 0.018554 0.012392 0.013483 0.021240 0.093026 0.006847 -0.530233 0.012180 -0.026591 0.068981 0.003013 -0.013293 -0.001510 0.014092 -0.002732 0.011471 -0.026956 -0.090167 -0.059458 0.177108 -0.006346 0.448916 0.021925 0.022142 0.038262 -0.215369 0.009439 0.041477 0.171530 0.014625 -0.394654 -0.054318 0.020704 -0.011498 -0.007906 0.002479 0.030545 -0.041190 -0.002985 0.210209 -0.020301 -0.001258 0.001774 -0.023778 0.015667 -0.002727 0.077337 -0.056651 -0.045813 -0.081203 -0.165530 0.514735 -0.012439 -0.009684 -0.010787 -0.215020 0.168756 0.602106 -0.215411 0.041504 0.388473 -0.006550 -0.016701 0.021040 0.218423 -0.089977 0.331592 0.207757 0.090939 0.408076 0.018872 0.042756 0.026954 0.001575 0.032190 0.010203 -0.026034 0.046168 -0.099056 0.016752 -0.001366 0.014924 -0.010238 -0.002959 0.038357 0.004002 0.014192 0.018842 -0.003401 -0.048673 -0.231788 -0.071749 -0.064395 0.117729 0.003108 -0.005281 0.062087 -0.017206 -0.017898 -0.125742 0.001728 0.007942 -0.004620 0.008051 -0.002715 0.013291 -0.021717 0.016008 0.028801 0.009094 -0.011316 0.034141 0.036982 -0.041694 -0.129099 -0.008356 0.003692 0.033731 -0.025331 0.006006 0.011801 -0.004676 0.014918 0.025143 0.007862 -0.001965 0.045055 0.009835 0.012991 0.049118 -0.032118 0.049455 -0.116855 0.440908 -0.015496 0.126250 -0.028912 0.007669 -0.036853 0.005532 -0.129830 -0.177783 0.003883 0.002611 0.053815 -0.032069 -0.045928 -0.619369 0.029334 0.000117 0.020209 -0.004592 -0.000208 0.038813 0.029871 0.072135 -0.078130 0.013678 0.006468 0.000816 -0.002844 -0.006772 0.021577 -0.382933 -0.150732 -0.000503 0.014183 0.021426 0.010196 -0.072638 -0.128269 0.082369 -0.002492 -0.023541 0.013589 0.014618 -0.295877 -0.368730 -0.039422 0.063447 0.024737 0.013975 -0.006050 -0.002475 -0.049832 0.019383 -0.933956 -0.002461 0.021052 0.021307 0.007995 0.012064 0.001647 0.434252 0.096655 0.201684 -0.022948 -0.002420 -0.025306 0.009599 0.124821 -0.197468 0.013896 -0.016319 0.014236 -0.088103 0.055760 -0.607167 -0.032747 -0.026365 0.034304 -0.007555 0.001439 0.015422 0.078967 -0.043552 0.391284 0.078606 -0.057415 -0.028979 0.012746 -0.011681 0.089286 -0.382084 -0.005847 0.320432 0.018140 -0.025709 -0.017271 -0.016874 0.181728 0.143174 0.002036 0.028899 -0.003297 -0.076211 0.333811 -0.454305 0.021211 -0.033855 0.021104 0.012463 0.013143 0.022381 0.097772 0.006663 -0.529625 0.026460 -0.021320 0.069707 -0.000178 -0.014382 -0.003878 -0.001216 0.003906 -0.000555 -0.025945 -0.090855 -0.082526 0.171153 -0.008625 0.452290 -0.005378 -0.013428 0.027921 0.004296 -0.068645 0.007614 0.180384 0.012920 -0.400259 0.000072 0.011376 0.019372 -0.029841 -0.003998 0.033769 -0.046991 -0.000769 0.216608 0.008288 0.003568 -0.021679 -0.032013 0.024157 0.003715 0.078228 -0.056757 -0.034271 -0.077136 -0.162987 0.515689 -0.026858 -0.002220 0.001209 -0.212126 0.166095 0.605233 -0.215323 0.041892 0.392019 -0.004988 -0.012093 0.023448 0.218094 -0.090477 0.332815 0.208793 0.091416 0.408067 0.016008 -0.002913 0.041245 -0.008872 0.003878 0.038990 -0.043348 0.045376 -0.075063 -0.008076 -0.004223 0.035594 -0.009296 0.002487 0.044104 -0.003020 0.001881 0.027414 -0.001206 -0.045504 -0.222531 -0.072525 -0.062143 0.128269 -0.000312 -0.002934 0.052835 -0.014817 -0.009776 -0.107939 -0.005882 0.001672 -0.003704 0.013518 -0.006849 -0.002248 0.001166 0.004690 0.017057 0.008613 -0.015702 0.026980 0.037944 -0.050400 -0.112772 -0.013737 0.011700 0.023180 -0.006603 0.014223 0.006222 -0.000557 0.013787 0.030794 0.005477 0.001454 0.043337 0.000177 0.002835 0.029558 -0.034025 0.047108 -0.105432 0.441561 -0.016107 0.132784 -0.031610 0.000506 -0.037891 0.007362 -0.129092 -0.188369 0.007838 -0.006844 0.030657 -0.033614 -0.048286 -0.621874 0.033065 0.005984 0.015921 -0.007530 0.007449 0.030075 0.033198 0.073112 -0.080372 -0.032627 0.018156 -0.018876 0.003576 0.001233 0.053080 -0.383008 -0.153414 -0.010329 0.030271 0.021054 0.075223 -0.074906 -0.128032 0.089795 -0.001676 -0.011809 0.004325 0.019682 -0.323500 -0.374445 -0.040806 0.071803 0.024302 0.010030 -0.001819 0.007174 -0.052806 0.019715 -0.938638 0.024387 -0.001105 0.006975 -0.012534 0.010500 -0.009940 0.428517 0.097272 0.201953 -0.007506 0.001371 -0.041808 0.005311 0.117703 -0.201103 0.010981 0.004172 -0.003262 -0.088155 0.058161 -0.608779 -0.003405 -0.010649 0.022082 0.001584 0.005412 0.013046 0.086874 -0.043968 0.386758 -0.004993 -0.005612 -0.014838 0.022048 -0.010726 0.076779 -0.383983 0.003720 0.334137 0.006915 -0.004750 -0.003713 -0.016333 0.184183 0.141578 -0.014139 0.025331 0.020644 -0.072341 0.361486 -0.459188 -0.020958 -0.004867 0.028694 0.004689 0.013047 -0.005203 0.086722 0.006136 -0.538080 -0.023932 0.006050 0.050749 -0.009869 -0.008097 -0.006392 -0.010941 0.008121 -0.007979 -0.018245 -0.091095 -0.030602 0.183047 -0.003657 0.445950 -0.018045 -0.035123 0.033401 0.144917 -0.109511 -0.045768 0.171048 0.009639 -0.409495 0.037342 -0.005878 0.046631 -0.041531 -0.005584 0.038287 -0.033179 -0.004309 0.220114 0.026172 0.009163 -0.033629 -0.029929 0.031693 0.007186 0.078901 -0.056261 -0.035036 -0.085095 -0.168025 0.509925 -0.035092 0.001448 0.011033 -0.218412 0.171219 0.599401 -0.215075 0.040421 0.387420 -0.003812 -0.007688 0.026017 0.218419 -0.090202 0.329113 0.205737 0.091302 0.404640 0.005511 -0.031126 0.048241 -0.013957 -0.014588 0.056254 -0.040156 0.045410 -0.075674 -0.029941 -0.002087 0.050285 -0.010973 0.006114 0.047144 -0.008010 -0.006711 0.030918 -0.000924 -0.044211 -0.219802 -0.075558 -0.059870 0.126055 -0.001629 -0.002017 0.049444 -0.011675 -0.021281 -0.124935 -0.005037 -0.002411 -0.005001 0.015903 -0.009871 -0.013929 0.014972 -0.005455 0.004725 0.006902 -0.021880 0.023370 0.039698 -0.039732 -0.129963 -0.015295 0.020384 0.013694 0.006020 0.021728 -0.002744 0.004746 0.013097 0.035701 0.003529 0.002753 0.039313 -0.005004 -0.003413 0.020019 -0.034292 0.046823 -0.104765 0.437752 -0.017248 0.143782 -0.033209 -0.002976 -0.041207 0.011654 -0.130366 -0.192122 0.014434 -0.008563 0.010812 -0.031794 -0.045754 -0.624066 0.032821 0.012532 0.017540 -0.009402 0.009120 0.025463 0.025524 0.068702 -0.077385 -0.058417 0.025589 -0.029615 0.014591 0.005405 0.071809 -0.377897 -0.155979 0.002397 0.038316 0.017621 0.112172 -0.078610 -0.131391 0.099915 -0.002703 -0.004461 0.000919 0.009687 -0.270935 -0.367085 -0.038887 0.012029 0.018582 0.007024 0.006123 0.009528 -0.046374 0.018991 -0.929829 0.038351 -0.011913 -0.000405 -0.031281 0.008269 -0.017374 0.426262 0.098075 0.205231 0.000429 0.005261 -0.051291 0.003995 0.116119 -0.195370 0.007549 0.016076 -0.016953 -0.087375 0.055953 -0.605093 0.009223 -0.001570 0.019374 0.006356 0.005063 0.009453 0.070193 -0.040635 0.398170 -0.049865 0.025870 -0.009870 0.027668 -0.008065 0.067304 -0.386058 0.008777 0.340062 0.000157 0.010336 0.003997 -0.019367 0.189015 0.145056 -0.024431 0.022932 0.036314 -0.081889 0.310092 -0.442723 -0.048669 0.073838 0.023391 -0.002232 0.004815 -0.022888 0.105725 0.006956 -0.526975 -0.061290 0.021027 0.032355 -0.019020 -0.002053 -0.008333 -0.013852 0.007015 -0.000269 -0.019448 -0.092134 -0.056566 0.175940 -0.007762 0.451383 -0.029099 -0.019022 0.019307 0.085710 -0.029441 -0.022840 0.177528 0.009381 -0.403715 0.039663 0.003430 0.039855 -0.030380 -0.020382 0.022091 -0.042232 -0.000420 0.227194 0.025766 0.004384 -0.014907 -0.020303 0.012711 0.007488 0.075005 -0.056920 -0.028179 -0.078046 -0.164287 0.511493 -0.026618 -0.003838 0.013210 -0.213413 0.167306 0.602353 -0.215085 0.042053 0.390293 -0.000588 -0.004975 0.019316 0.218348 -0.090431 0.332476 0.207070 0.091299 0.405571 -0.005070 -0.021836 0.041551 -0.008840 -0.022418 0.036710 -0.048183 0.047188 -0.061275 -0.023639 -0.017291 0.045418 -0.001056 0.003648 0.036257 -0.009999 -0.010605 0.032313 0.003598 -0.040861 -0.207733 -0.071112 -0.057728 0.136567 -0.003821 0.001065 0.041347 -0.017096 -0.015635 -0.112065 -0.011183 -0.002490 0.003576 0.008114 -0.005705 -0.008131 0.015802 -0.006348 0.001929 0.003963 -0.017806 0.015318 0.034751 -0.050565 -0.101408 -0.009042 0.014836 0.005736 0.018172 0.010726 -0.001479 0.004671 0.010976 0.028942 -0.004291 0.008397 0.008287 -0.008073 -0.007292 0.015487 -0.032831 0.043914 -0.088051 0.435853 -0.018648 0.149750 -0.012305 -0.004077 -0.009542 0.011556 -0.129049 -0.201251 0.015363 -0.001873 0.007369 -0.033002 -0.048213 -0.627184 0.017552 0.005749 0.011009 -0.009855 0.014069 0.019144 0.030932 0.069449 -0.080509 -0.050709 0.016967 -0.023126 0.015595 0.005764 0.068796 -0.379729 -0.157076 -0.003027 0.027884 0.011946 0.103413 -0.080052 -0.134266 0.107097 -0.006182 -0.001408 -0.002805 0.016032 -0.306780 -0.373883 -0.027405 0.018276 0.015385 0.003011 0.003425 0.023563 -0.050734 0.018703 -0.935510 0.025866 -0.010199 -0.006081 -0.032476 0.006748 -0.015963 0.420454 0.099526 0.215795 -0.000066 0.005296 -0.031791 0.002205 0.112211 -0.199681 0.002497 0.018576 -0.000465 -0.087520 0.058055 -0.608425 0.012384 0.012429 0.007030 0.006510 0.004213 0.004638 0.080909 -0.040908 0.393899 -0.031442 0.038972 -0.003341 0.027618 -0.012004 0.051819 -0.379652 0.012251 0.337848 -0.013231 0.021665 0.016991 -0.020060 0.194807 0.150651 -0.026580 0.013949 0.035503 -0.076313 0.346292 -0.454473 -0.035274 0.003846 0.029456 -0.006023 0.011029 -0.024697 0.092557 0.006594 -0.538092 -0.015153 0.022079 0.008938 -0.021816 -0.000522 -0.003098 -0.014906 0.013304 0.012149 -0.016533 -0.075948 0.154301 0.218252 -0.005404 0.440890 -0.021647 0.007862 0.010931 -0.065724 0.122013 -0.013340 0.180827 0.006065 -0.354921 0.046019 -0.021348 0.055475 -0.003374 -0.023526 0.017657 0.005722 -0.001489 0.231134 0.033780 0.004928 0.038481 0.005930 -0.009292 0.011514 0.075549 -0.049396 -0.038438 -0.116876 -0.168254 0.504435 -0.013161 -0.019127 0.013006 -0.239768 0.170208 0.593020 -0.224061 0.052977 0.369020 0.004101 0.006513 0.007139 0.229678 -0.068938 0.322576 0.201337 0.069956 0.405398 -0.029033 -0.001233 0.022327 -0.002130 -0.046386 0.005069 -0.032203 0.050826 -0.046591 -0.017276 -0.031031 0.037611 0.013608 -0.003891 0.017617 -0.015228 -0.016223 0.027514 0.008765 -0.043427 -0.198191 -0.082324 -0.049559 0.126099 -0.007103 0.006974 0.033769 -0.026679 -0.011311 -0.143089 -0.011721 -0.000226 0.017697 -0.004310 0.005282 0.000706 0.013884 -0.016092 0.004489 -0.007380 -0.016538 0.000355 0.028348 -0.044104 -0.130079 -0.001781 0.012236 -0.000529 0.041175 -0.004375 -0.014691 0.010005 -0.002228 0.010842 -0.015763 0.023182 -0.051514 -0.017567 -0.022982 0.016043 -0.023168 0.043671 -0.080262 0.401817 -0.025737 0.180843 0.014926 -0.008304 0.047425 0.001678 -0.125979 -0.210062 0.012831 0.006796 -0.003746 -0.021414 -0.046868 -0.568730 -0.015675 -0.017929 -0.046139 -0.010655 0.010554 0.001046 -0.001585 0.058034 -0.072720 -0.036989 0.003127 0.000542 0.035597 0.005137 0.057971 -0.344347 -0.149735 0.044212 0.006072 0.000539 0.071538 -0.068142 -0.146699 0.107900 -0.012063 -0.000419 0.023001 -0.009786 -0.054898 -0.393068 0.008293 -0.111895 0.029184 -0.005134 0.023074 0.020162 -0.015255 0.013895 -0.887862 0.009462 0.031968 -0.041979 -0.049771 0.003178 -0.009792 0.413938 0.108903 0.241857 0.014432 0.012549 -0.007370 -0.000249 0.100898 -0.183427 -0.004012 0.024715 0.023870 -0.094453 0.058730 -0.598307 0.020420 0.050194 -0.007996 0.005826 0.006449 -0.005077 0.040428 -0.035125 0.392530 0.035556 0.058441 -0.003590 0.025662 -0.001059 0.037297 -0.375894 -0.005322 0.120175 -0.065350 0.045506 0.028875 -0.026312 0.208413 0.176616 -0.024699 -0.005756 0.037398 -0.092361 0.072196 -0.482091 -0.020781 0.016451 0.052428 -0.017285 -0.015040 -0.033343 0.145869 0.010285 -0.548108 0.027087 -0.026507 -0.040921 -0.014944 0.003571 0.013837 0.000780 0.008177 0.026415 -0.030882 -0.080407 0.264602 0.219380 -0.020740 0.447248 -0.025457 0.010453 -0.017499 0.021324 0.003908 0.100711 0.189099 0.011774 -0.319825 0.005471 0.011576 -0.006886 0.008143 -0.018915 0.004256 -0.005042 0.012695 0.249146 0.000336 -0.019709 0.055407 -0.003433 -0.016361 0.002408 0.071760 -0.056596 -0.034587 -0.099038 -0.141761 0.510297 0.010407 -0.013052 0.013261 -0.235021 0.144529 0.599598 -0.215977 0.054210 0.372048 -0.005866 0.002638 0.006228 0.221467 -0.080242 0.333487 0.200838 0.082155 0.417000 -0.008543 0.019662 0.008006 0.007415 -0.006973 -0.027065 -0.035256 0.049320 -0.003798 -0.022679 -0.020688 0.012269 0.017670 0.002312 0.009195 -0.008001 -0.003309 0.023269 0.016803 -0.038963 -0.187267 -0.073394 -0.050700 0.122865 -0.006690 0.004334 0.021976 -0.035004 0.008417 -0.107769 -0.019018 -0.007330 0.013147 -0.006034 0.009771 0.019248 0.013124 -0.011194 -0.010220 -0.010137 0.002753 0.003295 0.017323 -0.054768 -0.114626 0.004271 0.003011 0.008329 0.004784 -0.002435 -0.008436 -0.002897 -0.008413 0.009071 -0.012267 0.006532 -0.037876 -0.008713 -0.008636 0.008903 -0.022447 0.042516 -0.080700 0.425808 -0.007510 0.183205 0.020259 -0.003731 0.034155 0.020116 -0.120064 -0.219212 0.002211 0.012313 0.002967 -0.035342 -0.054138 -0.609670 -0.037793 -0.033178 -0.003253 -0.006053 0.010151 -0.002548 -0.006074 0.055867 -0.075658 -0.006694 -0.015677 0.015870 0.031542 -0.002455 0.035479 -0.377547 -0.150029 0.054570 -0.013591 -0.012759 0.013834 -0.088363 -0.143166 0.155349 -0.007577 0.003291 -0.024634 0.003088 -0.028309 -0.420713 0.022117 0.057062 0.032446 -0.000674 0.008246 0.031425 -0.006754 0.012903 -0.912602 0.007158 -0.012425 0.011732 -0.028534 0.008563 0.001658 0.404395 0.090859 0.243723 0.012019 0.001594 0.024017 0.006083 0.098397 -0.178902 -0.000132 0.013691 0.027495 -0.100496 0.066726 -0.605173 0.013690 0.038177 0.002575 -0.002768 -0.002371 -0.006111 0.049602 -0.032640 0.361875 -0.020379 0.039509 -0.007239 0.022109 0.001930 0.037278 -0.371767 0.006181 -0.082573 -0.078911 0.037625 0.035222 -0.031725 0.209057 0.187068 -0.004973 -0.012809 0.019744 -0.084278 0.047720 -0.529906 -0.011583 -0.088556 0.075220 -0.006072 0.005674 -0.010578 0.139745 0.012839 -0.590262 0.034526 0.043993 -0.032874 -0.024986 0.007905 0.019874 0.000769 0.008090 0.026381 -0.030911 -0.080478 0.264819 0.219455 -0.020720 0.447450 -0.025410 0.010268 -0.017548 0.021793 0.003095 0.100746 0.189118 0.011761 -0.319710 0.005181 0.011602 -0.007339 0.008229 -0.018763 0.004044 -0.005031 0.012715 0.249249 0.000040 -0.019792 0.055365 -0.003725 -0.016488 0.002324 0.071882 -0.056427 -0.034457 -0.099123 -0.141577 0.510160 0.010382 -0.012705 0.013620 -0.235314 0.144388 0.599848 -0.215848 0.054504 0.372374 -0.005814 0.002642 0.006257 0.221283 -0.080153 0.333693 0.200820 0.082112 0.417098 -0.008205 0.019762 0.008052 0.007630 -0.006784 -0.027232 -0.035320 0.049179 -0.003786 -0.022568 -0.020445 0.011634 0.017942 0.002365 0.008405 -0.007933 -0.003224 0.022950 0.016898 -0.038904 -0.187180 -0.073392 -0.050623 0.123058 -0.006796 0.004314 0.021202 -0.035072 0.008331 -0.107434 -0.019463 -0.007561 0.013198 -0.006048 0.009809 0.019443 0.013213 -0.011162 -0.010016 -0.010175 0.002790 0.003363 0.017134 -0.054686 -0.114496 0.004260 0.003024 0.008487 0.004509 -0.002249 -0.008346 -0.002967 -0.008397 0.009337 -0.012180 0.006619 -0.037740 -0.008721 -0.008586 0.009001 -0.022501 0.042483 -0.080555 0.426284 -0.007642 0.183353 0.020387 -0.003703 0.034082 0.019890 -0.120058 -0.219100 0.002244 0.012430 0.002443 -0.035337 -0.054133 -0.609348 -0.038408 -0.033194 -0.003218 -0.005964 0.010040 -0.002760 -0.006114 0.055869 -0.075542 -0.006395 -0.015928 0.015993 0.031558 -0.002454 0.035205 -0.378162 -0.150423 0.054687 -0.013690 -0.012999 0.013266 -0.088169 -0.143076 0.156752 -0.007554 0.003360 -0.026014 0.003072 -0.028301 -0.420634 0.022293 0.057308 0.032730 -0.000772 0.008165 0.031520 -0.006779 0.012941 -0.912990 0.007222 -0.013944 0.012461 -0.028484 0.008489 0.001767 0.404378 0.091041 0.243848 0.011949 0.001464 0.024338 0.005672 0.098388 -0.178815 -0.000178 0.013562 0.027251 -0.100515 0.066770 -0.605077 0.013729 0.037963 0.002595 -0.002840 -0.002326 -0.006101 0.049565 -0.032602 0.361966 -0.020456 0.039437 -0.006807 0.021844 0.001974 0.036210 -0.371824 0.006588 -0.082430 -0.078490 0.037589 0.034820 -0.031300 0.209040 0.187186 -0.004624 -0.013004 0.019498 -0.084223 0.047686 -0.530702 -0.011321 -0.088791 0.075246 -0.006014 0.005745 -0.009992 0.139703 0.012874 -0.590193 0.034850 0.045735 -0.033027 -0.025046 0.007991 0.019816 0.000971 0.007973 0.026484 -0.030946 -0.080282 0.264741 0.219215 -0.020669 0.447387 -0.025261 0.010388 -0.018010 0.022536 0.002473 0.100982 0.188919 0.011944 -0.319651 0.004852 0.012020 -0.008034 0.008546 -0.018596 0.003636 -0.005116 0.012753 0.249422 -0.000342 -0.020048 0.055538 -0.003037 -0.016917 0.002526 0.071507 -0.056759 -0.034334 -0.098985 -0.141029 0.510547 0.010625 -0.012829 0.013168 -0.234763 0.143921 0.599792 -0.215404 0.053959 0.372623 -0.006143 0.002668 0.006420 0.220769 -0.080280 0.334227 0.200823 0.082313 0.417254 -0.008874 0.019960 0.008132 0.007635 -0.006305 -0.027584 -0.035239 0.049409 -0.003602 -0.022545 -0.020213 0.010914 0.018244 0.002512 0.007716 -0.007863 -0.003086 0.022624 0.016760 -0.038674 -0.186937 -0.073064 -0.050640 0.123220 -0.006901 0.004316 0.020581 -0.034995 0.008409 -0.107728 -0.019199 -0.007530 0.013309 -0.006166 0.009837 0.019707 0.013091 -0.011078 -0.009922 -0.010193 0.002992 0.003610 0.017187 -0.054452 -0.114392 0.004195 0.003044 0.008712 0.004662 -0.002423 -0.008323 -0.003029 -0.008367 0.009398 -0.012502 0.006559 -0.037758 -0.008740 -0.008527 0.009184 -0.022539 0.042343 -0.080464 0.428175 -0.007131 0.183541 0.020547 -0.003607 0.034060 0.020216 -0.119957 -0.218980 0.002276 0.012509 0.001989 -0.035464 -0.054134 -0.609684 -0.039014 -0.033218 -0.002573 -0.005859 0.010174 -0.002891 -0.006113 0.055934 -0.075493 -0.005988 -0.016082 0.016158 0.031493 -0.002440 0.035096 -0.380144 -0.149605 0.054875 -0.013922 -0.012950 0.012475 -0.088570 -0.143314 0.156227 -0.007513 0.003401 -0.025529 0.003024 -0.028271 -0.420481 0.022415 0.057060 0.032498 -0.000891 0.008135 0.031365 -0.006825 0.012950 -0.914584 0.007021 -0.013440 0.014438 -0.028378 0.008537 0.001953 0.404269 0.090626 0.244041 0.011882 0.001324 0.024810 0.006568 0.098457 -0.178646 0.000381 0.013360 0.026943 -0.100542 0.066825 -0.604923 0.013765 0.037748 0.002642 -0.002928 -0.002493 -0.006102 0.049548 -0.032583 0.362000 -0.020653 0.039192 -0.006425 0.021783 0.002031 0.035862 -0.371791 0.005811 -0.082279 -0.078202 0.037180 0.034483 -0.032407 0.209417 0.187293 -0.004870 -0.012907 0.019227 -0.084446 0.047911 -0.528562 -0.011058 -0.089228 0.074555 -0.005908 0.005792 -0.011096 0.139648 0.012887 -0.590019 0.034981 0.044958 -0.033241 -0.025199 0.008050 0.019863 0.001144 0.007819 0.026461 -0.030911 -0.080385 0.264832 0.219300 -0.020713 0.447478 -0.025300 0.010765 -0.018791 0.023624 0.000893 0.101036 0.189018 0.011825 -0.319701 0.004313 0.012172 -0.008911 0.008936 -0.018438 0.003252 -0.005017 0.012730 0.249379 -0.000751 -0.020320 0.055642 -0.003547 -0.016154 0.002617 0.071689 -0.056564 -0.034280 -0.099282 -0.141792 0.510578 0.010884 -0.013263 0.013147 -0.234977 0.144613 0.599747 -0.216097 0.054158 0.372131 -0.006135 0.002615 0.006263 0.221509 -0.080013 0.333601 0.200828 0.081976 0.417125 -0.008245 0.020357 0.007968 0.007503 -0.005830 -0.028084 -0.035364 0.049396 -0.003368 -0.022408 -0.020053 0.010437 0.018313 0.002580 0.007421 -0.007782 -0.002979 0.022701 0.016778 -0.038984 -0.186928 -0.073411 -0.050565 0.122892 -0.006938 0.004248 0.020783 -0.035152 0.008623 -0.107451 -0.018591 -0.007603 0.013101 -0.006171 0.009858 0.019911 0.012562 -0.011212 -0.011092 -0.010139 0.003157 0.003570 0.017234 -0.054796 -0.114244 0.004268 0.002905 0.008758 0.004213 -0.002392 -0.007933 -0.003641 -0.008809 0.008810 -0.012423 0.006362 -0.037232 -0.008620 -0.008409 0.009134 -0.022450 0.042605 -0.080482 0.425585 -0.007660 0.183313 0.020534 -0.003664 0.033945 0.019760 -0.120054 -0.218993 0.002064 0.012510 0.002514 -0.035252 -0.054125 -0.608578 -0.039143 -0.033268 -0.003664 -0.005991 0.010662 -0.001498 -0.006126 0.055882 -0.075421 -0.005888 -0.016162 0.016137 0.031444 -0.002609 0.034979 -0.377424 -0.149972 0.054752 -0.014493 -0.012749 0.013266 -0.088112 -0.143289 0.154668 -0.007053 0.003712 -0.022783 0.003009 -0.028321 -0.420545 0.022339 0.057640 0.032482 -0.000852 0.008124 0.031648 -0.006787 0.012896 -0.912059 0.006947 -0.011761 0.012141 -0.028155 0.008551 0.002091 0.404239 0.091143 0.244094 0.011880 0.001392 0.024816 0.006129 0.098417 -0.178762 0.000149 0.013265 0.027108 -0.100538 0.066774 -0.604923 0.013724 0.037670 0.002682 -0.002865 -0.002918 -0.005991 0.049566 -0.032609 0.362130 -0.021328 0.038932 -0.006806 0.022282 0.001962 0.036158 -0.371679 0.006238 -0.082380 -0.078313 0.037202 0.034621 -0.031928 0.209287 0.187170 -0.004561 -0.013047 0.019241 -0.084307 0.047794 -0.529372 -0.011052 -0.088982 0.074726 -0.005991 0.005740 -0.010224 0.139669 0.012853 -0.589903 0.034701 0.043010 -0.033296 -0.024951 0.009152 0.020234 0.001491 0.007779 0.026692 -0.030813 -0.080431 0.264749 0.219395 -0.020730 0.447386 -0.026164 0.010330 -0.019676 0.023892 -0.002988 0.102359 0.189018 0.011887 -0.319935 0.003551 0.012525 -0.009651 0.009219 -0.018284 0.003429 -0.004853 0.012754 0.249249 -0.000688 -0.021368 0.055516 -0.003847 -0.015669 0.002565 0.071722 -0.056543 -0.034299 -0.099503 -0.142125 0.510565 0.011498 -0.013553 0.012820 -0.234947 0.144946 0.599538 -0.216379 0.054201 0.371688 -0.006195 0.002530 0.005928 0.221927 -0.079729 0.333226 0.200905 0.081689 0.416960 -0.007517 0.021142 0.007609 0.007348 -0.005217 -0.028625 -0.035353 0.049511 -0.003172 -0.022493 -0.020288 0.010902 0.017921 0.002698 0.008355 -0.007687 -0.002738 0.023087 0.016838 -0.039132 -0.186892 -0.073436 -0.050518 0.122557 -0.006739 0.004213 0.021676 -0.035278 0.008802 -0.107510 -0.018058 -0.007525 0.013171 -0.006157 0.009915 0.020145 0.012388 -0.011102 -0.011519 -0.010047 0.003487 0.003484 0.017277 -0.054903 -0.114272 0.004470 0.002667 0.008711 0.003683 -0.002280 -0.007778 -0.003864 -0.008950 0.008448 -0.012383 0.006045 -0.036825 -0.008368 -0.008151 0.008965 -0.022354 0.042737 -0.080630 0.423969 -0.007893 0.182890 0.020475 -0.003697 0.033540 0.019577 -0.119936 -0.219111 0.002452 0.012220 0.003623 -0.035143 -0.054022 -0.607399 -0.038716 -0.033316 -0.005142 -0.006010 0.011624 -0.000439 -0.006174 0.055777 -0.075423 -0.005418 -0.016604 0.016035 0.031625 -0.002797 0.034919 -0.375743 -0.150177 0.054677 -0.014796 -0.012915 0.012490 -0.087763 -0.142836 0.153064 -0.006876 0.003769 -0.021528 0.003163 -0.028178 -0.420673 0.021561 0.058959 0.032318 -0.000683 0.008222 0.031951 -0.006613 0.012783 -0.910673 0.006850 -0.010419 0.010686 -0.027902 0.008763 0.002245 0.404193 0.091452 0.244068 0.011850 0.001493 0.024909 0.006038 0.098291 -0.178869 -0.000140 0.013019 0.027402 -0.100626 0.066665 -0.605003 0.013450 0.037479 0.002468 -0.002876 -0.003107 -0.005903 0.049509 -0.032535 0.362159 -0.022514 0.038764 -0.007723 0.022717 0.002115 0.037792 -0.371465 0.006538 -0.082667 -0.078482 0.037240 0.034950 -0.031791 0.208905 0.187017 -0.005073 -0.012749 0.018633 -0.084063 0.047676 -0.530054 -0.010972 -0.087879 0.075708 -0.005902 0.005776 -0.009255 0.139841 0.012942 -0.589883 0.034121 0.041753 -0.033410 -0.025068 0.009201 0.020609 0.002043 0.007452 0.027089 -0.030771 -0.080765 0.264822 0.219639 -0.020822 0.447398 -0.026574 0.011067 -0.020805 0.029635 -0.007050 0.103753 0.189438 0.011438 -0.320264 -0.000565 0.013194 -0.012733 0.009728 -0.018040 0.001339 -0.004009 0.012687 0.248487 -0.002368 -0.022176 0.055921 -0.005288 -0.015718 0.001955 0.072793 -0.055490 -0.034221 -0.101450 -0.141780 0.509997 0.012397 -0.013760 0.011708 -0.235737 0.144423 0.599729 -0.215886 0.055091 0.371946 -0.006233 0.002131 0.005301 0.221543 -0.077752 0.332740 0.200914 0.079529 0.416092 -0.005435 0.022602 0.006669 0.007236 -0.004383 -0.029581 -0.035852 0.049076 -0.002731 -0.021909 -0.020186 0.010253 0.017976 0.002825 0.008403 -0.007363 -0.002165 0.022941 0.016900 -0.039539 -0.187208 -0.073413 -0.049922 0.121984 -0.006786 0.003842 0.021398 -0.035576 0.008739 -0.106407 -0.017717 -0.007966 0.013686 -0.006170 0.009995 0.021070 0.011938 -0.011032 -0.011361 -0.009951 0.004052 0.003550 0.017158 -0.054873 -0.114041 0.004712 0.002227 0.009042 0.002812 -0.001869 -0.007677 -0.004487 -0.009270 0.007907 -0.012758 0.005991 -0.035853 -0.007936 -0.007434 0.007912 -0.022294 0.042530 -0.080833 0.425869 -0.009608 0.182674 0.020614 -0.004080 0.033317 0.017805 -0.120388 -0.219983 0.003213 0.011287 0.006444 -0.033289 -0.054159 -0.601121 -0.040122 -0.033407 -0.010767 -0.005814 0.010585 -0.000269 -0.006213 0.055499 -0.075879 -0.004095 -0.017283 0.016816 0.031816 -0.003196 0.034362 -0.378149 -0.152151 0.055042 -0.015187 -0.011096 0.013173 -0.085846 -0.143102 0.151815 -0.006561 0.003849 -0.020382 0.002439 -0.028646 -0.420997 0.021623 0.062338 0.033066 -0.000551 0.007996 0.032400 -0.006504 0.012514 -0.912623 0.006838 -0.008840 0.012581 -0.027420 0.008990 0.002597 0.404630 0.093448 0.244189 0.012066 0.001659 0.026182 0.004532 0.098201 -0.179202 -0.001717 0.012873 0.028248 -0.100326 0.066715 -0.605161 0.013252 0.037025 0.002661 -0.003071 -0.002395 -0.005733 0.049533 -0.032470 0.361975 -0.024895 0.037901 -0.008121 0.022259 0.002653 0.039746 -0.371657 0.008252 -0.083229 -0.078833 0.036858 0.035679 -0.030168 0.209218 0.187118 -0.004142 -0.013014 0.018685 -0.083938 0.047523 -0.533236 -0.010855 -0.087351 0.077386 -0.005656 0.005907 -0.007521 0.139876 0.012968 -0.590334 0.032698 0.040794 -0.032225 -0.024384 0.009233 0.021251 0.003353 0.007133 0.027695 -0.030587 -0.081757 0.264009 0.220546 -0.021021 0.446680 -0.027691 0.011738 -0.022786 0.034681 -0.016567 0.105571 0.189344 0.011853 -0.320980 -0.004482 0.015032 -0.017747 0.010712 -0.018218 0.002453 -0.003681 0.012613 0.249106 -0.004928 -0.023041 0.056791 -0.005568 -0.014496 0.000872 0.072003 -0.056580 -0.034563 -0.099726 -0.142526 0.509226 0.014878 -0.013318 0.011795 -0.235602 0.144895 0.598669 -0.216330 0.055017 0.370347 -0.007195 0.001437 0.004957 0.222416 -0.079316 0.332124 0.201147 0.080812 0.415979 -0.002986 0.025568 0.005419 0.007854 -0.001591 -0.033013 -0.035631 0.048974 -0.002688 -0.022164 -0.020379 0.007688 0.018812 0.003057 0.006773 -0.006183 -0.001043 0.022411 0.018141 -0.039615 -0.186258 -0.072699 -0.050164 0.120692 -0.006597 0.002815 0.021620 -0.036267 0.009614 -0.106140 -0.017249 -0.009882 0.013176 -0.005575 0.010374 0.022203 0.011769 -0.010861 -0.013695 -0.009897 0.005407 0.003327 0.016338 -0.055521 -0.114542 0.005524 0.001325 0.008342 -0.000424 -0.000962 -0.007254 -0.005716 -0.010033 0.006856 -0.011612 0.004050 -0.034837 -0.006734 -0.006621 0.006894 -0.021879 0.042831 -0.081539 0.424357 -0.007241 0.182186 0.018934 -0.003088 0.033161 0.021113 -0.120338 -0.219581 0.003044 0.010024 0.011537 -0.034696 -0.054336 -0.607779 -0.039271 -0.033861 -0.005138 -0.007078 0.010283 0.002008 -0.005674 0.055608 -0.076505 -0.002632 -0.016874 0.017727 0.032418 -0.004135 0.035620 -0.376560 -0.151636 0.055164 -0.016060 -0.010911 0.010761 -0.088814 -0.143282 0.155423 -0.007290 0.003689 -0.023140 0.003114 -0.028418 -0.422086 0.019762 0.066123 0.035086 0.000563 0.008365 0.032775 -0.006609 0.012734 -0.911719 0.006456 -0.011578 0.011576 -0.026965 0.010149 0.001996 0.404764 0.090566 0.245036 0.011176 0.001420 0.027066 0.005684 0.097970 -0.179401 -0.001367 0.012738 0.029423 -0.100219 0.066560 -0.606192 0.012581 0.036707 0.003648 -0.003144 -0.002781 -0.004720 0.050078 -0.032928 0.361586 -0.028273 0.036824 -0.010006 0.024190 0.003329 0.048204 -0.371503 0.007551 -0.083077 -0.079733 0.036649 0.037783 -0.030892 0.209307 0.187255 -0.003938 -0.012540 0.018194 -0.083842 0.047598 -0.535055 -0.012508 -0.085875 0.080529 -0.005180 0.006118 -0.005301 0.139797 0.012524 -0.591361 0.028341 0.046740 -0.029941 -0.024242 0.009218 0.021621 0.007641 0.004703 0.030595 -0.030306 -0.080894 0.263708 0.219457 -0.021083 0.446264 -0.027770 0.012832 -0.027240 0.047150 -0.037988 0.109596 0.188650 0.013095 -0.321995 -0.012954 0.020340 -0.027438 0.013127 -0.016585 0.001820 -0.004910 0.012851 0.251621 -0.012606 -0.028987 0.059730 -0.004104 -0.016103 -0.000891 0.069978 -0.059218 -0.034105 -0.096830 -0.139366 0.508518 0.019706 -0.012456 0.011597 -0.233301 0.141842 0.598003 -0.213496 0.052905 0.371095 -0.009466 0.001843 0.004184 0.219839 -0.081894 0.334500 0.201566 0.083444 0.416387 -0.002132 0.031527 0.002927 0.009487 0.005955 -0.038733 -0.035401 0.049222 -0.002606 -0.023396 -0.018924 0.002680 0.019370 0.005074 0.003923 -0.004728 0.000796 0.021299 0.019434 -0.038169 -0.184650 -0.070321 -0.050427 0.119571 -0.006250 0.002194 0.019664 -0.036322 0.010555 -0.106328 -0.017163 -0.012932 0.013615 -0.006595 0.010619 0.025896 0.012154 -0.009779 -0.018886 -0.009991 0.009070 0.004430 0.014518 -0.054602 -0.114939 0.006512 -0.000329 0.009104 -0.006164 -0.000439 -0.007688 -0.008140 -0.012040 0.005979 -0.011074 0.000695 -0.033214 -0.005661 -0.005126 0.006407 -0.021663 0.042262 -0.082005 0.433601 -0.004282 0.182158 0.018978 -0.001643 0.031691 0.024765 -0.119268 -0.221617 0.000530 0.009992 0.018170 -0.036352 -0.054521 -0.615380 -0.041496 -0.036916 0.003079 -0.006866 0.009386 0.002635 -0.005532 0.054998 -0.076933 0.003401 -0.019868 0.019228 0.032290 -0.004693 0.033793 -0.386439 -0.149722 0.057459 -0.021083 -0.011771 0.003243 -0.092339 -0.143167 0.165019 -0.006885 0.004695 -0.033483 0.003985 -0.028225 -0.422059 0.022290 0.078040 0.034729 0.002251 0.008346 0.034931 -0.006339 0.012287 -0.920132 0.006773 -0.020923 0.023070 -0.025503 0.010218 0.003787 0.403320 0.087772 0.246747 0.010879 0.000334 0.031365 0.009590 0.097982 -0.179199 -0.000852 0.011628 0.031795 -0.100396 0.066605 -0.606389 0.011018 0.033734 0.004308 -0.004962 -0.003817 -0.003443 0.050066 -0.032284 0.361953 -0.034643 0.035112 -0.012319 0.023801 0.002299 0.049459 -0.370086 0.005498 -0.084054 -0.079989 0.035165 0.039857 -0.035184 0.210139 0.188130 -0.002589 -0.012393 0.014578 -0.083876 0.048152 -0.527552 -0.010934 -0.085953 0.081287 -0.003725 0.006740 -0.004024 0.139913 0.013012 -0.590143 0.025734 0.063343 -0.032635 -0.024961 0.009491 0.024492 0.012459 0.003531 0.037200 -0.030570 -0.081665 0.265035 0.219437 -0.020947 0.447273 -0.031000 0.018067 -0.034282 0.068720 -0.076413 0.116800 0.187315 0.014317 -0.322326 -0.029777 0.029938 -0.047481 0.019432 -0.012096 0.000609 -0.005431 0.013291 0.256277 -0.023009 -0.036848 0.071473 -0.006301 -0.010393 0.001140 0.067311 -0.061192 -0.031143 -0.094926 -0.141633 0.511398 0.028497 -0.015143 0.009829 -0.232944 0.144536 0.597979 -0.216292 0.052406 0.369060 -0.013099 -0.000324 0.006583 0.221894 -0.083820 0.334862 0.201092 0.085785 0.418570 0.003860 0.043535 -0.000113 0.008409 0.020826 -0.049131 -0.035901 0.050704 0.003413 -0.023611 -0.015184 -0.003228 0.021072 0.008292 0.001403 -0.003068 0.005826 0.019382 0.020244 -0.038554 -0.178976 -0.069825 -0.050063 0.117866 -0.006548 0.000708 0.016237 -0.039571 0.014120 -0.101048 -0.011427 -0.015444 0.015504 -0.007602 0.011950 0.034857 0.008141 -0.008472 -0.022397 -0.009173 0.015939 0.005575 0.012621 -0.055657 -0.110489 0.007610 -0.003559 0.011672 -0.018233 0.000233 -0.000258 -0.012465 -0.014271 0.001968 -0.011811 -0.004923 -0.022919 -0.002333 -0.000389 0.003717 -0.021227 0.043966 -0.080081 0.426059 -0.000029 0.182864 0.022875 -0.000570 0.028617 0.030029 -0.117732 -0.223770 -0.003277 0.012908 0.007034 -0.039386 -0.054467 -0.620882 -0.055508 -0.037625 0.014716 -0.003199 0.006866 -0.006098 -0.006023 0.054378 -0.075803 0.024787 -0.028217 0.025698 0.031349 -0.005025 0.018387 -0.381321 -0.149857 0.064682 -0.033009 -0.016838 -0.030272 -0.098860 -0.142716 0.162963 -0.004005 0.007980 -0.032133 0.004457 -0.027192 -0.421717 0.035976 0.114337 0.022315 0.001104 0.006740 0.037810 -0.006560 0.011712 -0.911956 0.000498 -0.018389 0.034590 -0.016516 0.010199 0.012595 0.402515 0.084248 0.251704 0.011500 -0.004537 0.048399 0.010646 0.098029 -0.174657 0.003264 0.003988 0.032656 -0.101331 0.066842 -0.605884 0.006029 0.024043 0.005573 -0.010558 -0.005498 -0.005397 0.049194 -0.031420 0.364062 -0.052360 0.027605 -0.013225 0.017259 0.003984 0.029570 -0.370867 0.007219 -0.083879 -0.072454 0.029865 0.038707 -0.037816 0.211223 0.193022 0.007418 -0.018950 0.003141 -0.084153 0.048608 -0.527491 -0.002058 -0.097813 0.077929 0.000858 0.011377 0.001181 0.139976 0.013816 -0.589860 0.028233 0.061079 -0.035345 -0.026733 0.008849 0.028344 0.008426 -0.000141 0.027600 -0.030676 -0.085312 0.269182 0.223154 -0.022036 0.448289 -0.006984 0.015599 -0.019618 0.035595 -0.075647 0.062961 0.194176 0.017593 -0.328040 -0.043477 0.012638 -0.031272 0.015323 0.024839 0.006086 -0.003111 0.014375 0.260224 -0.035476 -0.026322 0.057141 -0.006245 -0.006151 0.002983 0.069088 -0.061258 -0.022444 -0.097580 -0.139023 0.509678 0.029067 -0.005722 0.012112 -0.236677 0.142022 0.597475 -0.215546 0.056396 0.368548 -0.010087 -0.000805 0.010142 0.221008 -0.080859 0.334129 0.201685 0.082867 0.417526 0.015021 0.041360 -0.005204 0.005565 0.031993 -0.035251 -0.041880 0.052084 0.006428 -0.011230 -0.001840 -0.017330 0.011542 0.017847 -0.002847 0.001059 0.011508 0.013194 0.024386 -0.038033 -0.174329 -0.069943 -0.049797 0.115423 -0.005513 -0.000709 0.004842 -0.046714 0.018736 -0.091327 -0.011226 -0.009916 0.011557 0.000235 0.009769 0.040751 0.002898 -0.006299 -0.022066 -0.006263 0.020775 0.015870 0.005455 -0.061296 -0.096580 0.003653 -0.004987 0.007901 -0.034200 -0.001824 0.012976 -0.017458 -0.017052 -0.003273 -0.005882 -0.013312 0.012907 0.003141 0.005110 -0.001637 -0.019976 0.044271 -0.078605 0.428956 0.004998 0.182430 0.020458 -0.000470 0.004898 0.032344 -0.114869 -0.232354 -0.005092 0.013572 0.010969 -0.040008 -0.054894 -0.613073 -0.072707 -0.024592 0.011808 -0.004471 0.006616 -0.005294 -0.006498 0.054235 -0.076133 0.029804 -0.029932 0.025489 0.027774 -0.007358 0.010175 -0.387856 -0.150677 0.070134 -0.038975 -0.019245 -0.045669 -0.101641 -0.139953 0.174871 0.001817 0.006413 -0.031363 0.004665 -0.026878 -0.423964 0.046883 0.116540 0.004305 0.000819 0.001913 0.040250 -0.006352 0.011554 -0.915541 0.002317 -0.025185 0.050415 -0.004359 0.004574 0.028729 0.399996 0.081381 0.247730 0.007263 -0.011722 0.050011 0.011107 0.095060 -0.166172 0.001854 -0.000954 0.021170 -0.102897 0.067635 -0.605890 -0.004151 0.002048 0.003648 -0.011911 -0.010566 0.002848 0.049085 -0.031508 0.367667 -0.028093 0.002949 -0.000424 0.003498 0.007727 0.024392 -0.369143 0.007275 -0.071545 -0.049417 0.009533 0.027508 -0.039042 0.211758 0.205749 0.015024 -0.011897 -0.013980 -0.083413 0.049565 -0.545791 0.014117 -0.075050 0.060855 0.009186 0.004536 0.009763 0.140115 0.013731 -0.586576 0.024369 0.041789 -0.025873 -0.029762 0.008907 0.027723 0.005394 -0.004297 0.018373 -0.030756 -0.088601 0.272844 0.226369 -0.023200 0.448640 0.015078 0.014376 -0.006074 0.005210 -0.075100 0.008841 0.200265 0.021204 -0.334167 -0.055657 -0.006465 -0.017560 0.012122 0.059989 0.010234 -0.001667 0.015405 0.264650 -0.051263 -0.011442 0.038907 -0.002824 -0.001633 0.004430 0.069024 -0.063271 -0.014166 -0.098724 -0.137473 0.509341 0.030481 0.003233 0.010642 -0.239012 0.140391 0.595861 -0.215617 0.058810 0.366509 -0.006565 -0.001218 0.012027 0.220832 -0.079614 0.333425 0.202144 0.081490 0.417239 0.023691 0.039262 -0.009917 0.002025 0.044460 -0.022245 -0.047170 0.054146 0.009423 0.001970 0.011650 -0.030974 0.002125 0.026381 -0.006782 0.004429 0.016165 0.007465 0.028059 -0.037624 -0.169361 -0.069843 -0.050108 0.112607 -0.003877 -0.003525 -0.006560 -0.053846 0.023821 -0.084173 -0.008627 -0.003893 0.006363 0.007746 0.007538 0.049754 -0.002606 -0.004413 -0.025408 -0.005107 0.025746 0.029063 -0.001223 -0.067305 -0.083661 -0.000471 -0.005936 0.006835 -0.049464 -0.004789 0.026151 -0.022314 -0.021610 -0.007697 -0.000792 -0.021871 0.046163 0.004684 0.011865 -0.001810 -0.018649 0.045010 -0.077434 0.429552 0.011888 0.181574 0.019811 0.003135 -0.016742 0.037331 -0.112406 -0.240230 -0.012848 0.010903 0.022941 -0.041013 -0.055386 -0.609826 -0.086055 -0.012246 0.010521 -0.003147 0.002877 -0.004086 -0.006993 0.053520 -0.076497 0.035101 -0.031121 0.023248 0.024048 -0.011724 -0.000133 -0.391142 -0.147952 0.075977 -0.046939 -0.019145 -0.056659 -0.107317 -0.136462 0.182320 0.005585 0.006898 -0.025235 0.004843 -0.026680 -0.426137 0.059915 0.118173 -0.008108 0.001129 -0.004000 0.042740 -0.006020 0.010973 -0.916812 0.004097 -0.029547 0.062547 0.008005 0.000716 0.043506 0.398833 0.075992 0.243149 0.002955 -0.016564 0.052246 0.015407 0.093161 -0.158176 0.003337 -0.008469 0.011361 -0.104634 0.068043 -0.605964 -0.013328 -0.015780 0.005329 -0.014639 -0.010849 0.010182 0.048855 -0.031282 0.371664 -0.006713 -0.019240 0.008014 -0.006536 0.012419 0.018617 -0.369101 0.003540 -0.061248 -0.029275 -0.010296 0.015396 -0.044317 0.211312 0.217401 0.022706 -0.005999 -0.029831 -0.082728 0.050422 -0.559406 0.031531 -0.057109 0.045678 0.016392 -0.002329 0.015985 0.140117 0.013669 -0.584000 0.019272 0.016978 -0.014448 -0.031654 0.012412 0.025345 -0.007691 -0.003785 0.001250 -0.031090 -0.089374 0.274000 0.228284 -0.023950 0.448034 -0.004710 -0.002475 0.009593 0.007849 0.026622 -0.003064 0.200515 0.022946 -0.337772 -0.006804 -0.011528 0.019114 0.004365 0.036216 0.005775 -0.002524 0.016238 0.264972 -0.012511 0.003131 0.013319 0.012597 -0.013007 0.007257 0.067055 -0.063254 -0.007224 -0.097744 -0.135274 0.510838 0.013400 0.011110 0.021613 -0.238951 0.138711 0.594892 -0.215169 0.059153 0.367208 -0.002297 0.008118 0.014046 0.220263 -0.080382 0.334599 0.202525 0.082928 0.417358 0.002749 -0.007079 -0.005825 -0.004250 0.006715 0.006263 -0.048101 0.056715 0.009034 -0.000187 0.013599 -0.022785 0.001006 0.013943 -0.002136 -0.002048 0.004242 0.008497 0.028227 -0.032862 -0.171416 -0.070523 -0.051578 0.122854 -0.003321 0.002507 -0.010136 -0.053016 0.019665 -0.086282 -0.018726 0.006370 -0.000353 -0.000768 0.002867 0.030774 0.001137 -0.002093 -0.011198 -0.008217 0.018186 0.027293 -0.000959 -0.066875 -0.075073 -0.003126 -0.003860 -0.002897 -0.015971 -0.010983 0.018300 -0.009898 -0.013497 -0.002499 0.002859 -0.009785 0.023386 -0.004975 0.001830 0.001667 -0.018999 0.041232 -0.069032 0.426706 0.013818 0.190730 0.021975 -0.000519 0.003513 0.037505 -0.112435 -0.241697 -0.008105 0.010512 0.014388 -0.041486 -0.056002 -0.612163 -0.058965 -0.003327 0.011332 -0.007694 0.007898 -0.006554 -0.007867 0.053272 -0.076746 -0.001182 -0.009709 0.008717 0.011997 -0.001224 0.010761 -0.385732 -0.138098 0.073096 -0.025281 -0.008918 -0.012286 -0.108866 -0.134420 0.177117 0.005163 0.001345 -0.003449 0.004418 -0.027637 -0.426840 0.045727 0.038612 -0.009085 -0.004526 0.000519 0.033530 -0.005222 0.010775 -0.918872 0.001384 -0.019101 0.034316 -0.002336 -0.005165 0.027930 0.399363 0.073833 0.235362 0.007774 -0.005379 0.032015 0.022644 0.092053 -0.152237 -0.006739 0.004292 0.007651 -0.105361 0.069628 -0.605724 -0.000527 -0.002288 0.000768 -0.003956 -0.009128 0.012838 0.048751 -0.030053 0.373277 0.008303 -0.002308 0.010247 -0.007786 0.005340 0.012107 -0.369599 -0.006184 -0.054489 -0.012535 -0.001492 -0.002510 -0.052058 0.208686 0.222401 0.005019 0.004321 -0.009281 -0.083729 0.053083 -0.563701 0.014342 -0.045180 0.029274 0.003692 -0.010921 0.003545 0.140368 0.014196 -0.581028 0.007007 -0.011801 -0.010432 -0.022838 0.007707 0.017936 -0.018527 -0.003749 -0.010530 -0.031234 -0.090313 0.275358 0.230147 -0.024502 0.448274 -0.019905 -0.012224 0.020239 0.012363 0.092154 -0.008829 0.201934 0.023120 -0.340084 0.022570 -0.015528 0.045991 -0.003175 0.024222 -0.002622 -0.001813 0.016686 0.263422 0.009346 0.014583 -0.002334 0.020005 -0.020602 0.008485 0.068093 -0.060801 -0.002563 -0.100244 -0.134174 0.509959 -0.000619 0.017135 0.028556 -0.241327 0.137760 0.595101 -0.214998 0.061873 0.368145 0.003187 0.015365 0.016473 0.220188 -0.077730 0.333893 0.202815 0.080510 0.416221 -0.008350 -0.039107 -0.002619 -0.008242 -0.021763 0.027986 -0.049680 0.057213 0.008663 -0.000741 0.014358 -0.016424 0.000057 0.004854 0.000997 -0.006596 -0.004904 0.009506 0.028825 -0.030476 -0.173959 -0.071985 -0.051635 0.129985 -0.002974 0.006309 -0.012319 -0.052502 0.016420 -0.085782 -0.027507 0.012871 -0.004534 -0.005329 0.000908 0.018143 0.003661 -0.001098 -0.000457 -0.009390 0.011919 0.024481 -0.000922 -0.066953 -0.068945 -0.003995 -0.002910 -0.008832 0.008889 -0.013810 0.011189 0.001471 -0.006203 0.000588 0.005244 0.001428 0.007158 -0.011523 -0.005510 0.002374 -0.019250 0.038621 -0.062985 0.423881 0.012059 0.197304 0.021767 -0.004015 0.016195 0.033897 -0.112943 -0.243057 -0.003051 0.011779 0.006784 -0.039498 -0.056569 -0.604803 -0.039384 0.005649 0.002975 -0.009447 0.010111 -0.010663 -0.007870 0.053838 -0.077132 -0.026034 0.002397 0.000006 0.002810 0.005746 0.019374 -0.381672 -0.135560 0.071436 -0.007404 -0.003786 0.019484 -0.105677 -0.132919 0.176416 0.003578 -0.001800 0.010186 0.003679 -0.028943 -0.427489 0.035866 -0.012210 -0.009171 -0.007779 0.005412 0.026947 -0.005182 0.011263 -0.920513 -0.000188 -0.014064 0.014599 -0.010735 -0.010085 0.017481 0.400094 0.075621 0.229321 0.014704 0.001277 0.015675 0.023357 0.090782 -0.148689 -0.015403 0.011210 0.005295 -0.105303 0.070769 -0.605595 0.006803 0.005274 -0.003758 0.002658 -0.008843 0.014857 0.049292 -0.030263 0.374108 0.020701 0.009478 0.013104 -0.007255 0.004126 0.012166 -0.369997 -0.008720 -0.049870 -0.001565 0.001476 -0.013647 -0.052766 0.206567 0.226215 -0.006608 0.010322 0.005378 -0.083706 0.054162 -0.573629 0.002783 -0.035486 0.018889 -0.004493 -0.016515 -0.001281 0.140004 0.013810 -0.579257 -0.003872 -0.028465 -0.006603 -0.018950 0.003744 0.013590 -0.007026 -0.001913 -0.000202 -0.031581 -0.090775 0.275346 0.230057 -0.025008 0.448650 -0.010971 -0.005305 0.012598 0.008205 -0.009632 -0.003362 0.202348 0.021562 -0.333470 0.015266 0.001950 0.017621 -0.005085 0.000270 0.006798 -0.001285 0.016699 0.260995 0.008474 0.000271 0.002930 -0.000031 -0.015519 0.003048 0.068921 -0.059382 -0.002210 -0.103009 -0.133671 0.509844 -0.000993 0.005102 0.022437 -0.242222 0.137086 0.595425 -0.214970 0.062812 0.368118 -0.003453 0.011877 0.012804 0.220188 -0.075179 0.332963 0.203100 0.077822 0.415816 0.006328 -0.018560 0.004140 -0.007463 -0.016628 0.026363 -0.048813 0.055236 0.011511 -0.012198 0.009683 -0.006631 0.003229 0.000076 -0.001763 -0.004975 -0.004409 0.011017 0.028304 -0.031226 -0.172229 -0.072663 -0.051611 0.132942 -0.005344 0.002543 -0.011961 -0.051223 0.016593 -0.076597 -0.016382 0.010879 -0.000344 -0.005680 0.001979 0.013134 0.000041 -0.000098 0.000368 -0.010484 0.015301 0.018025 -0.000535 -0.064053 -0.075939 0.004434 -0.001299 0.001428 0.011008 0.002330 0.004043 -0.000202 -0.003307 0.002844 0.003405 -0.000627 -0.001720 -0.009205 -0.003338 0.005883 -0.019731 0.038533 -0.064108 0.419113 0.009872 0.200843 0.005145 0.002489 0.020893 0.031782 -0.111962 -0.242986 0.004460 0.010997 -0.001222 -0.037269 -0.056763 -0.595512 -0.020211 0.002976 -0.009024 -0.006993 0.008621 -0.008630 -0.008186 0.053711 -0.077168 -0.025901 -0.006388 -0.006602 -0.000842 0.010246 0.020587 -0.377991 -0.136266 0.075940 0.005169 -0.000420 0.029675 -0.104309 -0.131544 0.169404 -0.003404 -0.002652 0.020528 0.002966 -0.029487 -0.427609 0.023826 -0.002459 -0.008226 -0.006405 0.010233 0.016571 -0.004952 0.010806 -0.920878 0.004505 0.000196 0.004398 -0.012472 -0.005816 0.008939 0.401477 0.078388 0.230553 0.009062 -0.002316 0.014138 0.022760 0.089610 -0.146516 -0.010110 0.008844 0.009418 -0.105113 0.070956 -0.605505 0.007518 0.004417 -0.001968 -0.003352 -0.004659 0.009731 0.049188 -0.030229 0.374262 0.017570 0.019297 0.009823 -0.000625 -0.000169 0.010142 -0.370403 -0.006165 -0.045966 -0.008818 0.005717 -0.012236 -0.051135 0.201791 0.229150 -0.002998 0.004126 0.015899 -0.083181 0.054318 -0.577840 -0.005427 0.012557 0.009648 -0.007039 -0.008490 0.007323 0.140072 0.014234 -0.577170 0.003616 -0.022497 0.000223 -0.018879 -0.003184 0.010409</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="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <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 a60" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a27 a73" 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="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a59" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a30 a56" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a64" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" 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="6.34045"
                           xFract="0.75123815"
                           y3="4.21235"
                           yFract="0.4990936"
                           z3="8.4268"
                           zFract="0.37924392"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33185"
                           xFract="0.75021919"
                           y3="6.33291"
                           yFract="0.75034479"
                           z3="6.33642"
                           zFract="0.28516742"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.21939"
                           xFract="0.49992773"
                           y3="6.33429"
                           yFract="0.75050829"
                           z3="4.21459"
                           zFract="0.18967552"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21954"
                           xFract="0.4999455"
                           y3="4.22202"
                           yFract="0.50023934"
                           z3="6.33408"
                           zFract="0.28506211"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.21908"
                           xFract="0.499891"
                           y3="-0.00141"
                           yFract="-0.00016706"
                           z3="6.33185"
                           zFract="0.28496175"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.22571"
                           xFract="0.50067654"
                           y3="2.11143"
                           yFract="0.25016943"
                           z3="8.42794"
                           zFract="0.37929523"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3276"
                           xFract="0.74971564"
                           y3="4.22729"
                           yFract="0.50086374"
                           z3="4.20441"
                           zFract="0.18921737"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33322"
                           xFract="0.75038152"
                           y3="2.10242"
                           yFract="0.2491019"
                           z3="6.3441"
                           zFract="0.28551305"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10016"
                           xFract="0.24883412"
                           y3="4.21688"
                           yFract="0.49963033"
                           z3="8.42322"
                           zFract="0.37908281"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11258"
                           xFract="0.25030569"
                           y3="4.2310"
                           yFract="0.50130332"
                           z3="4.23168"
                           zFract="0.19044464"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00026"
                           xFract="-0.00003081"
                           y3="6.33754"
                           yFract="0.75089336"
                           z3="4.22428"
                           zFract="0.19011161"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.10652"
                           xFract="0.24958768"
                           y3="-0.00404"
                           yFract="-0.00047867"
                           z3="4.21798"
                           zFract="0.18982808"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.10677"
                           xFract="0.2496173"
                           y3="6.33375"
                           yFract="0.75044431"
                           z3="6.33571"
                           zFract="0.28513546"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.00381"
                           xFract="-0.00045142"
                           y3="2.11315"
                           yFract="0.25037322"
                           z3="8.47274"
                           zFract="0.38131143"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.00112"
                           xFract="0.0001327"
                           y3="6.32757"
                           yFract="0.74971209"
                           z3="8.46182"
                           zFract="0.38081998"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33255"
                           xFract="0.75030213"
                           y3="-0.00047"
                           yFract="-0.00005569"
                           z3="4.21563"
                           zFract="0.18972232"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.10455"
                           xFract="0.24935427"
                           y3="2.10466"
                           yFract="0.2493673"
                           z3="6.33939"
                           zFract="0.28530108"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00224"
                           xFract="0.0002654"
                           y3="-0.00101"
                           yFract="-0.00011967"
                           z3="6.33786"
                           zFract="0.28523222"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22161"
                           xFract="0.50019076"
                           y3="6.32963"
                           yFract="0.74995616"
                           z3="8.44765"
                           zFract="0.38018227"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.00166"
                           xFract="0.00019668"
                           y3="4.22092"
                           yFract="0.500109"
                           z3="6.34892"
                           zFract="0.28572997"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.22289"
                           xFract="0.50034242"
                           y3="2.10367"
                           yFract="0.24925"
                           z3="4.21012"
                           zFract="0.18947435"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33888"
                           xFract="0.75105213"
                           y3="0.00577"
                           yFract="0.00068365"
                           z3="8.44901"
                           zFract="0.38024347"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00284"
                           xFract="-0.00033649"
                           y3="2.10024"
                           yFract="0.2488436"
                           z3="4.21801"
                           zFract="0.18982943"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10116"
                           xFract="0.24895261"
                           y3="0.00261"
                           yFract="0.00030924"
                           z3="8.44695"
                           zFract="0.38015077"/>
                     <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="-0.0178"
                           xFract="-0.002109"
                           y3="2.1105"
                           yFract="0.25005924"
                           z3="6.29709"
                           zFract="0.28339739"/>
                     <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="2.12919"
                           xFract="0.2522737"
                           y3="-0.01211"
                           yFract="-0.00143483"
                           z3="6.32353"
                           zFract="0.28458731"/>
                     <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="0.00406"
                           xFract="0.00048104"
                           y3="-0.00408"
                           yFract="-0.00048341"
                           z3="4.21891"
                           zFract="0.18986994"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00351"
                           xFract="-0.00041588"
                           y3="0.00302"
                           yFract="0.00035782"
                           z3="8.45309"
                           zFract="0.38042709"/>
                     <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="2.11879"
                           xFract="0.25104147"
                           y3="2.13612"
                           yFract="0.25309479"
                           z3="4.19848"
                           zFract="0.1889505"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12549"
                           xFract="0.25183531"
                           y3="2.11819"
                           yFract="0.25097038"
                           z3="8.45723"
                           zFract="0.38061341"/>
                     <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="4.2375"
                           xFract="0.50207346"
                           y3="2.11323"
                           yFract="0.2503827"
                           z3="6.35001"
                           zFract="0.28577903"/>
                     <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="6.3105"
                           xFract="0.74768957"
                           y3="-0.00754"
                           yFract="-0.00089336"
                           z3="6.32137"
                           zFract="0.2844901"/>
                     <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="4.21542"
                           xFract="0.49945735"
                           y3="-0.02506"
                           yFract="-0.00296919"
                           z3="4.23421"
                           zFract="0.19055851"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22341"
                           xFract="0.50040403"
                           y3="0.01659"
                           yFract="0.00196564"
                           z3="8.44465"
                           zFract="0.38004725"/>
                     <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="6.32189"
                           xFract="0.7490391"
                           y3="2.13377"
                           yFract="0.25281635"
                           z3="4.23988"
                           zFract="0.19081368"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3128"
                           xFract="0.74796209"
                           y3="2.11944"
                           yFract="0.25111848"
                           z3="8.43643"
                           zFract="0.37967732"/>
                     <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="-0.02664"
                           xFract="-0.0031564"
                           y3="6.32891"
                           yFract="0.74987085"
                           z3="6.29484"
                           zFract="0.28329613"/>
                     <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="2.13246"
                           xFract="0.25266114"
                           y3="4.23159"
                           yFract="0.50137322"
                           z3="6.32152"
                           zFract="0.28449685"/>
                     <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="4.22366"
                           yFract="0.50043365"
                           z3="4.22169"
                           zFract="0.18999505"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00457"
                           xFract="-0.00054147"
                           y3="4.21703"
                           yFract="0.4996481"
                           z3="8.44886"
                           zFract="0.38023672"/>
                     <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="2.13607"
                           xFract="0.25308886"
                           y3="6.31077"
                           yFract="0.74772156"
                           z3="4.19808"
                           zFract="0.18893249"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11706"
                           xFract="0.25083649"
                           y3="6.32094"
                           yFract="0.74892654"
                           z3="8.4589"
                           zFract="0.38068857"/>
                     <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="4.24994"
                           xFract="0.50354739"
                           y3="6.32598"
                           yFract="0.7495237"
                           z3="6.29531"
                           zFract="0.28331728"/>
                     <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="6.30486"
                           xFract="0.74702133"
                           y3="4.22632"
                           yFract="0.50074882"
                           z3="6.33138"
                           zFract="0.28494059"/>
                     <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="4.21943"
                           xFract="0.49993246"
                           y3="4.24345"
                           yFract="0.50277844"
                           z3="4.24111"
                           zFract="0.19086904"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22372"
                           xFract="0.50044076"
                           y3="4.20269"
                           yFract="0.49794905"
                           z3="8.43621"
                           zFract="0.37966742"/>
                     <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="6.30516"
                           xFract="0.74705687"
                           y3="6.3139"
                           yFract="0.74809242"
                           z3="4.24006"
                           zFract="0.19082178"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32322"
                           xFract="0.74919668"
                           y3="6.32037"
                           yFract="0.748859"
                           z3="8.42978"
                           zFract="0.37937804"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a24 a69" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a59" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a56" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a30 a59" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a64" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" 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.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="6.35729"
                           xFract="0.75323341"
                           y3="4.20002"
                           yFract="0.4976327"
                           z3="8.40618"
                           zFract="0.37831593"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33484"
                           xFract="0.75057346"
                           y3="6.33759"
                           yFract="0.75089929"
                           z3="6.34742"
                           zFract="0.28566247"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.21842"
                           xFract="0.4998128"
                           y3="6.34119"
                           yFract="0.75132583"
                           z3="4.20621"
                           zFract="0.18929838"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21881"
                           xFract="0.499859"
                           y3="4.22527"
                           yFract="0.50062441"
                           z3="6.34132"
                           zFract="0.28538794"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2176"
                           xFract="0.49971564"
                           y3="-0.00369"
                           yFract="-0.0004372"
                           z3="6.3355"
                           zFract="0.28512601"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2349"
                           xFract="0.5017654"
                           y3="2.11373"
                           yFract="0.25044194"
                           z3="8.40914"
                           zFract="0.37844914"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.32374"
                           xFract="0.74925829"
                           y3="4.23903"
                           yFract="0.50225474"
                           z3="4.17962"
                           zFract="0.18810171"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33841"
                           xFract="0.75099645"
                           y3="2.0902"
                           yFract="0.24765403"
                           z3="6.36747"
                           zFract="0.28656481"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.0843"
                           xFract="0.24695498"
                           y3="4.21185"
                           yFract="0.49903436"
                           z3="8.39684"
                           zFract="0.37789559"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11673"
                           xFract="0.25079739"
                           y3="4.24871"
                           yFract="0.50340166"
                           z3="4.25082"
                           zFract="0.19130603"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00067"
                           xFract="-0.00007938"
                           y3="6.3497"
                           yFract="0.75233412"
                           z3="4.2315"
                           zFract="0.19043654"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.10092"
                           xFract="0.24892417"
                           y3="-0.01054"
                           yFract="-0.00124882"
                           z3="4.21505"
                           zFract="0.18969622"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.10156"
                           xFract="0.2490"
                           y3="6.33979"
                           yFract="0.75115995"
                           z3="6.34557"
                           zFract="0.28557921"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.00995"
                           xFract="-0.00117891"
                           y3="2.11824"
                           yFract="0.2509763"
                           z3="8.52613"
                           zFract="0.38371422"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.00293"
                           xFract="0.00034716"
                           y3="6.32365"
                           yFract="0.74924763"
                           z3="8.4976"
                           zFract="0.38243024"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33666"
                           xFract="0.7507891"
                           y3="-0.00122"
                           yFract="-0.00014455"
                           z3="4.2089"
                           zFract="0.18941944"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.09578"
                           xFract="0.24831517"
                           y3="2.09605"
                           yFract="0.24834716"
                           z3="6.35518"
                           zFract="0.2860117"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00585"
                           xFract="0.00069313"
                           y3="-0.00264"
                           yFract="-0.0003128"
                           z3="6.35119"
                           zFract="0.28583213"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22421"
                           xFract="0.50049882"
                           y3="6.32904"
                           yFract="0.74988626"
                           z3="8.46061"
                           zFract="0.38076553"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="0.00433"
                           xFract="0.00051303"
                           y3="4.22241"
                           yFract="0.50028555"
                           z3="6.38007"
                           zFract="0.28713186"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.22755"
                           xFract="0.50089455"
                           y3="2.09348"
                           yFract="0.24804265"
                           z3="4.19453"
                           zFract="0.18877273"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.35318"
                           xFract="0.75274645"
                           y3="0.01507"
                           yFract="0.00178555"
                           z3="8.46416"
                           zFract="0.38092529"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00742"
                           xFract="-0.00087915"
                           y3="2.08451"
                           yFract="0.24697986"
                           z3="4.21511"
                           zFract="0.18969892"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.08692"
                           xFract="0.2472654"
                           y3="0.00682"
                           yFract="0.00080806"
                           z3="8.45879"
                           zFract="0.38068362"/>
                     <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="-0.04648"
                           xFract="-0.00550711"
                           y3="2.11129"
                           yFract="0.25015284"
                           z3="6.24475"
                           zFract="0.28104185"/>
                     <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="2.1601"
                           xFract="0.25593602"
                           y3="-0.03161"
                           yFract="-0.00374526"
                           z3="6.31378"
                           zFract="0.28414851"/>
                     <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="0.01061"
                           xFract="0.00125711"
                           y3="-0.01065"
                           yFract="-0.00126185"
                           z3="4.21748"
                           zFract="0.18980558"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00916"
                           xFract="-0.00108531"
                           y3="0.00788"
                           yFract="0.00093365"
                           z3="8.47481"
                           zFract="0.38140459"/>
                     <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="2.13295"
                           xFract="0.25271919"
                           y3="2.17819"
                           yFract="0.25807938"
                           z3="4.16415"
                           zFract="0.18740549"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.15045"
                           xFract="0.25479265"
                           y3="2.13138"
                           yFract="0.25253318"
                           z3="8.48563"
                           zFract="0.38189154"/>
                     <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="4.2657"
                           xFract="0.50541469"
                           y3="2.11842"
                           yFract="0.25099763"
                           z3="6.38292"
                           zFract="0.28726013"/>
                     <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="6.27908"
                           xFract="0.74396682"
                           y3="-0.0197"
                           yFract="-0.00233412"
                           z3="6.30813"
                           zFract="0.28389424"/>
                     <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="4.20804"
                           xFract="0.49858294"
                           y3="-0.06542"
                           yFract="-0.00775118"
                           z3="4.25743"
                           zFract="0.19160351"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22889"
                           xFract="0.50105332"
                           y3="0.04332"
                           yFract="0.0051327"
                           z3="8.45279"
                           zFract="0.38041359"/>
                     <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="6.30883"
                           xFract="0.74749171"
                           y3="2.17205"
                           yFract="0.2573519"
                           z3="4.27222"
                           zFract="0.19226913"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28508"
                           xFract="0.74467773"
                           y3="2.13465"
                           yFract="0.25292062"
                           z3="8.43133"
                           zFract="0.37944779"/>
                     <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="-0.06956"
                           xFract="-0.00824171"
                           y3="6.32717"
                           yFract="0.74966469"
                           z3="6.23886"
                           zFract="0.28077678"/>
                     <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="2.16865"
                           xFract="0.25694905"
                           y3="4.25025"
                           yFract="0.50358412"
                           z3="6.30853"
                           zFract="0.28391224"/>
                     <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="4.22955"
                           yFract="0.50113152"
                           z3="4.22474"
                           zFract="0.19013231"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01192"
                           xFract="-0.00141232"
                           y3="4.21224"
                           yFract="0.49908057"
                           z3="8.46378"
                           zFract="0.38090819"/>
                     <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="2.17807"
                           xFract="0.25806517"
                           y3="6.27979"
                           yFract="0.74405095"
                           z3="4.16308"
                           zFract="0.18735734"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.12844"
                           xFract="0.25218483"
                           y3="6.30634"
                           yFract="0.74719668"
                           z3="8.48998"
                           zFract="0.38208731"/>
                     <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="4.29817"
                           xFract="0.50926185"
                           y3="6.31951"
                           yFract="0.74875711"
                           z3="6.24008"
                           zFract="0.28083168"/>
                     <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="6.26437"
                           xFract="0.74222393"
                           y3="4.23649"
                           yFract="0.50195379"
                           z3="6.33426"
                           zFract="0.28507021"/>
                     <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="4.21852"
                           xFract="0.49982464"
                           y3="4.28124"
                           yFract="0.50725592"
                           z3="4.27543"
                           zFract="0.19241359"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22973"
                           xFract="0.50115284"
                           y3="4.17482"
                           yFract="0.49464692"
                           z3="8.43076"
                           zFract="0.37942214"/>
                     <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="6.26514"
                           xFract="0.74231517"
                           y3="6.28795"
                           yFract="0.74501777"
                           z3="4.27269"
                           zFract="0.19229028"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.31231"
                           xFract="0.74790403"
                           y3="6.30487"
                           yFract="0.74702251"
                           z3="8.41397"
                           zFract="0.37866652"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a31" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a24 a62" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a59" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a56" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a30 a59" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a64" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" 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.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="6.35112"
                           xFract="0.75250237"
                           y3="4.19811"
                           yFract="0.4974064"
                           z3="8.39998"
                           zFract="0.3780369"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31942"
                           xFract="0.74874645"
                           y3="6.32884"
                           yFract="0.74986256"
                           z3="6.33583"
                           zFract="0.28514086"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.22105"
                           xFract="0.50012441"
                           y3="6.32592"
                           yFract="0.74951659"
                           z3="4.20038"
                           zFract="0.189036"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.23103"
                           xFract="0.50130687"
                           y3="4.22877"
                           yFract="0.5010391"
                           z3="6.34239"
                           zFract="0.28543609"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.22342"
                           xFract="0.50040521"
                           y3="-0.0058"
                           yFract="-0.0006872"
                           z3="6.34562"
                           zFract="0.28558146"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23437"
                           xFract="0.50170261"
                           y3="2.11848"
                           yFract="0.25100474"
                           z3="8.42212"
                           zFract="0.3790333"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.32466"
                           xFract="0.7493673"
                           y3="4.23672"
                           yFract="0.50198104"
                           z3="4.18713"
                           zFract="0.18843969"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33604"
                           xFract="0.75071564"
                           y3="2.09191"
                           yFract="0.24785664"
                           z3="6.36149"
                           zFract="0.28629568"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.0900"
                           xFract="0.24763033"
                           y3="4.21225"
                           yFract="0.49908175"
                           z3="8.3950"
                           zFract="0.37781278"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11541"
                           xFract="0.250641"
                           y3="4.24563"
                           yFract="0.50303673"
                           z3="4.24572"
                           zFract="0.19107651"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00116"
                           xFract="-0.00013744"
                           y3="6.34549"
                           yFract="0.75183531"
                           z3="4.21261"
                           zFract="0.18958641"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.09875"
                           xFract="0.24866706"
                           y3="-0.0090"
                           yFract="-0.00106635"
                           z3="4.21112"
                           zFract="0.18951935"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.10297"
                           xFract="0.24916706"
                           y3="6.34203"
                           yFract="0.75142536"
                           z3="6.34407"
                           zFract="0.2855117"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01256"
                           xFract="-0.00148815"
                           y3="2.12118"
                           yFract="0.25132464"
                           z3="8.55802"
                           zFract="0.38514941"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.0035"
                           xFract="0.00041469"
                           y3="6.3208"
                           yFract="0.74890995"
                           z3="8.52116"
                           zFract="0.38349055"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33826"
                           xFract="0.75097867"
                           y3="0.00334"
                           yFract="0.00039573"
                           z3="4.20195"
                           zFract="0.18910666"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.09288"
                           xFract="0.24797156"
                           y3="2.09074"
                           yFract="0.24771801"
                           z3="6.3529"
                           zFract="0.28590909"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00203"
                           xFract="0.00024052"
                           y3="-0.00248"
                           yFract="-0.00029384"
                           z3="6.36447"
                           zFract="0.28642979"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22216"
                           xFract="0.50025592"
                           y3="6.32738"
                           yFract="0.74968957"
                           z3="8.46061"
                           zFract="0.38076553"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.00748"
                           xFract="-0.00088626"
                           y3="4.21959"
                           yFract="0.49995142"
                           z3="6.38081"
                           zFract="0.28716517"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2297"
                           xFract="0.50114929"
                           y3="2.09245"
                           yFract="0.24792062"
                           z3="4.20046"
                           zFract="0.1890396"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3515"
                           xFract="0.75254739"
                           y3="0.01603"
                           yFract="0.00189929"
                           z3="8.46976"
                           zFract="0.38117732"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00893"
                           xFract="-0.00105806"
                           y3="2.09076"
                           yFract="0.24772038"
                           z3="4.19823"
                           zFract="0.18893924"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.08898"
                           xFract="0.24750948"
                           y3="0.00718"
                           yFract="0.00085071"
                           z3="8.47178"
                           zFract="0.38126823"/>
                     <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="-0.03397"
                           xFract="-0.00402488"
                           y3="2.10865"
                           yFract="0.24984005"
                           z3="6.24149"
                           zFract="0.28089514"/>
                     <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="2.15912"
                           xFract="0.25581991"
                           y3="-0.04276"
                           yFract="-0.00506635"
                           z3="6.31965"
                           zFract="0.28441269"/>
                     <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="0.01881"
                           xFract="0.00222867"
                           y3="-0.02788"
                           yFract="-0.00330332"
                           z3="4.22482"
                           zFract="0.19013591"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00974"
                           xFract="-0.00115403"
                           y3="0.01401"
                           yFract="0.00165995"
                           z3="8.48385"
                           zFract="0.38181143"/>
                     <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="2.15017"
                           xFract="0.25475948"
                           y3="2.19719"
                           yFract="0.26033057"
                           z3="4.17681"
                           zFract="0.18797525"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.15632"
                           xFract="0.25548815"
                           y3="2.13029"
                           yFract="0.25240403"
                           z3="8.48559"
                           zFract="0.38188974"/>
                     <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="4.25334"
                           xFract="0.50395024"
                           y3="2.11504"
                           yFract="0.25059716"
                           z3="6.3756"
                           zFract="0.28693069"/>
                     <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="6.28008"
                           xFract="0.74408531"
                           y3="-0.02338"
                           yFract="-0.00277014"
                           z3="6.31023"
                           zFract="0.28398875"/>
                     <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="4.1992"
                           xFract="0.49753555"
                           y3="-0.07851"
                           yFract="-0.00930213"
                           z3="4.25661"
                           zFract="0.19156661"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23228"
                           xFract="0.50145498"
                           y3="0.04738"
                           yFract="0.00561374"
                           z3="8.45663"
                           zFract="0.38058641"/>
                     <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="6.28632"
                           xFract="0.74482464"
                           y3="2.18836"
                           yFract="0.25928436"
                           z3="4.27951"
                           zFract="0.19259721"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28287"
                           xFract="0.74441588"
                           y3="2.1323"
                           yFract="0.25264218"
                           z3="8.43725"
                           zFract="0.37971422"/>
                     <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="-0.09475"
                           xFract="-0.0112263"
                           y3="6.33019"
                           yFract="0.75002251"
                           z3="6.22561"
                           zFract="0.28018047"/>
                     <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="2.16908"
                           xFract="0.2570"
                           y3="4.26265"
                           yFract="0.50505332"
                           z3="6.32051"
                           zFract="0.2844514"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.00024"
                           xFract="0.00002844"
                           y3="4.25005"
                           yFract="0.50356043"
                           z3="4.23567"
                           zFract="0.19062421"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00572"
                           xFract="-0.00067773"
                           y3="4.20584"
                           yFract="0.49832227"
                           z3="8.46727"
                           zFract="0.38106526"/>
                     <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="2.21538"
                           xFract="0.26248578"
                           y3="6.27639"
                           yFract="0.7436481"
                           z3="4.14296"
                           zFract="0.18645185"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14339"
                           xFract="0.25395616"
                           y3="6.30698"
                           yFract="0.74727251"
                           z3="8.5088"
                           zFract="0.38293429"/>
                     <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="4.32815"
                           xFract="0.51281398"
                           y3="6.31986"
                           yFract="0.74879858"
                           z3="6.23902"
                           zFract="0.28078398"/>
                     <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="6.2585"
                           xFract="0.74152844"
                           y3="4.24264"
                           yFract="0.50268246"
                           z3="6.34039"
                           zFract="0.28534608"/>
                     <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="4.22056"
                           xFract="0.50006635"
                           y3="4.29739"
                           yFract="0.50916943"
                           z3="4.28662"
                           zFract="0.19291719"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23036"
                           xFract="0.50122749"
                           y3="4.17041"
                           yFract="0.49412441"
                           z3="8.41315"
                           zFract="0.37862961"/>
                     <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="6.22926"
                           xFract="0.73806398"
                           y3="6.2878"
                           yFract="0.7450"
                           z3="4.28153"
                           zFract="0.19268812"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.30445"
                           xFract="0.74697275"
                           y3="6.30442"
                           yFract="0.74696919"
                           z3="8.40554"
                           zFract="0.37828713"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a59" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a31" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a59" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a76" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a56" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a64" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.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="6.34129"
                           xFract="0.75133768"
                           y3="4.19507"
                           yFract="0.49704621"
                           z3="8.39013"
                           zFract="0.37759361"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.2949"
                           xFract="0.74584123"
                           y3="6.31492"
                           yFract="0.74821327"
                           z3="6.31739"
                           zFract="0.28431098"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.22525"
                           xFract="0.50062204"
                           y3="6.30163"
                           yFract="0.74663863"
                           z3="4.19111"
                           zFract="0.18861881"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.25048"
                           xFract="0.50361137"
                           y3="4.23435"
                           yFract="0.50170024"
                           z3="6.34409"
                           zFract="0.2855126"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.23268"
                           xFract="0.50150237"
                           y3="-0.00917"
                           yFract="-0.00108649"
                           z3="6.36172"
                           zFract="0.28630603"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23354"
                           xFract="0.50160427"
                           y3="2.12604"
                           yFract="0.25190047"
                           z3="8.44275"
                           zFract="0.37996175"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.32613"
                           xFract="0.74954147"
                           y3="4.23303"
                           yFract="0.50154384"
                           z3="4.19908"
                           zFract="0.1889775"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33228"
                           xFract="0.75027014"
                           y3="2.09463"
                           yFract="0.24817891"
                           z3="6.35198"
                           zFract="0.28586769"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09907"
                           xFract="0.24870498"
                           y3="4.21289"
                           yFract="0.49915758"
                           z3="8.39208"
                           zFract="0.37768137"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1133"
                           xFract="0.250391"
                           y3="4.24073"
                           yFract="0.50245616"
                           z3="4.23761"
                           zFract="0.19071152"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00193"
                           xFract="-0.00022867"
                           y3="6.3388"
                           yFract="0.75104265"
                           z3="4.18255"
                           zFract="0.18823357"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.09531"
                           xFract="0.24825948"
                           y3="-0.00657"
                           yFract="-0.00077844"
                           z3="4.20487"
                           zFract="0.18923807"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.10522"
                           xFract="0.24943365"
                           y3="6.34558"
                           yFract="0.75184597"
                           z3="6.34169"
                           zFract="0.28540459"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01673"
                           xFract="-0.00198223"
                           y3="2.12587"
                           yFract="0.25188033"
                           z3="8.60875"
                           zFract="0.38743249"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.0044"
                           xFract="0.00052133"
                           y3="6.31628"
                           yFract="0.74837441"
                           z3="8.55865"
                           zFract="0.38517777"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3408"
                           xFract="0.75127962"
                           y3="0.01059"
                           yFract="0.00125474"
                           z3="4.19087"
                           zFract="0.18860801"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.08828"
                           xFract="0.24742654"
                           y3="2.08229"
                           yFract="0.24671682"
                           z3="6.34928"
                           zFract="0.28574617"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00405"
                           xFract="-0.00047986"
                           y3="-0.00223"
                           yFract="-0.00026422"
                           z3="6.38558"
                           zFract="0.28737984"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2189"
                           xFract="0.49986967"
                           y3="6.32474"
                           yFract="0.74937678"
                           z3="8.4606"
                           zFract="0.38076508"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.02627"
                           xFract="-0.00311256"
                           y3="4.2151"
                           yFract="0.49941943"
                           z3="6.38199"
                           zFract="0.28721827"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.23313"
                           xFract="0.50155569"
                           y3="2.0908"
                           yFract="0.24772512"
                           z3="4.20991"
                           zFract="0.1894649"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34883"
                           xFract="0.75223104"
                           y3="0.01758"
                           yFract="0.00208294"
                           z3="8.47868"
                           zFract="0.38157876"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01132"
                           xFract="-0.00134123"
                           y3="2.10071"
                           yFract="0.24889929"
                           z3="4.17136"
                           zFract="0.18772997"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.09225"
                           xFract="0.24789692"
                           y3="0.00774"
                           yFract="0.00091706"
                           z3="8.49245"
                           zFract="0.38219847"/>
                     <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="-0.01405"
                           xFract="-0.00166469"
                           y3="2.10443"
                           yFract="0.24934005"
                           z3="6.2363"
                           zFract="0.28066157"/>
                     <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="2.15755"
                           xFract="0.25563389"
                           y3="-0.06051"
                           yFract="-0.00716943"
                           z3="6.32899"
                           zFract="0.28483303"/>
                     <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="0.03185"
                           xFract="0.0037737"
                           y3="-0.05529"
                           yFract="-0.00655095"
                           z3="4.23649"
                           zFract="0.19066112"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01066"
                           xFract="-0.00126303"
                           y3="0.02377"
                           yFract="0.00281635"
                           z3="8.49823"
                           zFract="0.3824586"/>
                     <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="2.17755"
                           xFract="0.25800355"
                           y3="2.22741"
                           yFract="0.26391114"
                           z3="4.19695"
                           zFract="0.18888164"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.16565"
                           xFract="0.2565936"
                           y3="2.12855"
                           yFract="0.25219787"
                           z3="8.48552"
                           zFract="0.38188659"/>
                     <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="4.23368"
                           xFract="0.50162085"
                           y3="2.10965"
                           yFract="0.24995853"
                           z3="6.36396"
                           zFract="0.28640684"/>
                     <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="6.28167"
                           xFract="0.7442737"
                           y3="-0.02925"
                           yFract="-0.00346564"
                           z3="6.31357"
                           zFract="0.28413906"/>
                     <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="4.18513"
                           xFract="0.49586848"
                           y3="-0.09933"
                           yFract="-0.01176896"
                           z3="4.25531"
                           zFract="0.1915081"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23767"
                           xFract="0.5020936"
                           y3="0.05383"
                           yFract="0.00637796"
                           z3="8.46274"
                           zFract="0.38086139"/>
                     <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="6.25051"
                           xFract="0.74058175"
                           y3="2.21429"
                           yFract="0.26235664"
                           z3="4.2911"
                           zFract="0.19311881"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.27936"
                           xFract="0.7440"
                           y3="2.12856"
                           yFract="0.25219905"
                           z3="8.44667"
                           zFract="0.38013816"/>
                     <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="-0.13483"
                           xFract="-0.01597512"
                           y3="6.3350"
                           yFract="0.75059242"
                           z3="6.20452"
                           zFract="0.27923132"/>
                     <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="2.16976"
                           xFract="0.25708057"
                           y3="4.28238"
                           yFract="0.507391"
                           z3="6.33958"
                           zFract="0.28530963"/>
                     <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="0.00061"
                           xFract="0.00007227"
                           y3="4.28267"
                           yFract="0.50742536"
                           z3="4.25305"
                           zFract="0.19140639"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00415"
                           xFract="0.00049171"
                           y3="4.19566"
                           yFract="0.49711611"
                           z3="8.47283"
                           zFract="0.38131548"/>
                     <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="2.27473"
                           xFract="0.26951777"
                           y3="6.27096"
                           yFract="0.74300474"
                           z3="4.11096"
                           zFract="0.1850117"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.16716"
                           xFract="0.25677251"
                           y3="6.3080"
                           yFract="0.74739336"
                           z3="8.53874"
                           zFract="0.38428173"/>
                     <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="4.37586"
                           xFract="0.51846682"
                           y3="6.32041"
                           yFract="0.74886374"
                           z3="6.23732"
                           zFract="0.28070747"/>
                     <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="6.24917"
                           xFract="0.74042299"
                           y3="4.25243"
                           yFract="0.50384242"
                           z3="6.35016"
                           zFract="0.28578578"/>
                     <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="4.2238"
                           xFract="0.50045024"
                           y3="4.3231"
                           yFract="0.51221564"
                           z3="4.30443"
                           zFract="0.19371872"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23138"
                           xFract="0.50134834"
                           y3="4.1634"
                           yFract="0.49329384"
                           z3="8.38514"
                           zFract="0.37736904"/>
                     <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="6.17217"
                           xFract="0.73129976"
                           y3="6.28755"
                           yFract="0.74497038"
                           z3="4.29559"
                           zFract="0.19332088"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29194"
                           xFract="0.74549052"
                           y3="6.3037"
                           yFract="0.74688389"
                           z3="8.39212"
                           zFract="0.37768317"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a38" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a31" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a56" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a64" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.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="6.33944"
                           xFract="0.75111848"
                           y3="4.19628"
                           yFract="0.49718957"
                           z3="8.39574"
                           zFract="0.37784608"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31275"
                           xFract="0.74795616"
                           y3="6.32495"
                           yFract="0.74940166"
                           z3="6.30787"
                           zFract="0.28388254"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.22024"
                           xFract="0.50002844"
                           y3="6.3018"
                           yFract="0.74665877"
                           z3="4.18731"
                           zFract="0.18844779"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.23158"
                           xFract="0.50137204"
                           y3="4.23272"
                           yFract="0.50150711"
                           z3="6.34275"
                           zFract="0.2854523"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.23294"
                           xFract="0.50153318"
                           y3="-0.01286"
                           yFract="-0.0015237"
                           z3="6.36881"
                           zFract="0.28662511"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2300"
                           xFract="0.50118483"
                           y3="2.12394"
                           yFract="0.25165166"
                           z3="8.44804"
                           zFract="0.38019982"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.32529"
                           xFract="0.74944194"
                           y3="4.24152"
                           yFract="0.50254976"
                           z3="4.20242"
                           zFract="0.18912781"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.3303"
                           xFract="0.75003555"
                           y3="2.08876"
                           yFract="0.24748341"
                           z3="6.35295"
                           zFract="0.28591134"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10531"
                           xFract="0.24944431"
                           y3="4.21497"
                           yFract="0.49940403"
                           z3="8.39485"
                           zFract="0.37780603"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11568"
                           xFract="0.25067299"
                           y3="4.25033"
                           yFract="0.5035936"
                           z3="4.2443"
                           zFract="0.1910126"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00304"
                           xFract="-0.00036019"
                           y3="6.34444"
                           yFract="0.7517109"
                           z3="4.17577"
                           zFract="0.18792844"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.09114"
                           xFract="0.2477654"
                           y3="-0.00405"
                           yFract="-0.00047986"
                           z3="4.2107"
                           zFract="0.18950045"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.10152"
                           xFract="0.24899526"
                           y3="6.34439"
                           yFract="0.75170498"
                           z3="6.33813"
                           zFract="0.28524437"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01681"
                           xFract="-0.00199171"
                           y3="2.12906"
                           yFract="0.25225829"
                           z3="8.64414"
                           zFract="0.3890252"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.00609"
                           xFract="0.00072156"
                           y3="6.31158"
                           yFract="0.74781754"
                           z3="8.58295"
                           zFract="0.38627138"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.34658"
                           xFract="0.75196445"
                           y3="0.01613"
                           yFract="0.00191114"
                           z3="4.1899"
                           zFract="0.18856436"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.08663"
                           xFract="0.24723104"
                           y3="2.07903"
                           yFract="0.24633057"
                           z3="6.34858"
                           zFract="0.28571467"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01013"
                           xFract="-0.00120024"
                           y3="-0.0078"
                           yFract="-0.00092417"
                           z3="6.40146"
                           zFract="0.28809451"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.21641"
                           xFract="0.49957464"
                           y3="6.3267"
                           yFract="0.749609"
                           z3="8.46286"
                           zFract="0.38086679"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.02792"
                           xFract="-0.00330806"
                           y3="4.21765"
                           yFract="0.49972156"
                           z3="6.39015"
                           zFract="0.28758551"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2251"
                           xFract="0.50060427"
                           y3="2.08616"
                           yFract="0.24717536"
                           z3="4.21625"
                           zFract="0.18975023"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34543"
                           xFract="0.7518282"
                           y3="0.01427"
                           yFract="0.00169076"
                           z3="8.48234"
                           zFract="0.38174347"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01352"
                           xFract="-0.0016019"
                           y3="2.10004"
                           yFract="0.24881991"
                           z3="4.16949"
                           zFract="0.18764581"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.09761"
                           xFract="0.24853199"
                           y3="0.00613"
                           yFract="0.0007263"
                           z3="8.5080"
                           zFract="0.38289829"/>
                     <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="-0.00649"
                           xFract="-0.00076896"
                           y3="2.10436"
                           yFract="0.24933175"
                           z3="6.21869"
                           zFract="0.27986904"/>
                     <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="2.15421"
                           xFract="0.25523815"
                           y3="-0.08649"
                           yFract="-0.01024763"
                           z3="6.33845"
                           zFract="0.28525878"/>
                     <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="0.04398"
                           xFract="0.0052109"
                           y3="-0.07252"
                           yFract="-0.00859242"
                           z3="4.24269"
                           zFract="0.19094014"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01117"
                           xFract="-0.00132346"
                           y3="0.03008"
                           yFract="0.00356398"
                           z3="8.51716"
                           zFract="0.38331053"/>
                     <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="2.18703"
                           xFract="0.25912678"
                           y3="2.23813"
                           yFract="0.26518128"
                           z3="4.20801"
                           zFract="0.18937939"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.16881"
                           xFract="0.25696801"
                           y3="2.12412"
                           yFract="0.25167299"
                           z3="8.48588"
                           zFract="0.38190279"/>
                     <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="4.21773"
                           xFract="0.49973104"
                           y3="2.10425"
                           yFract="0.24931872"
                           z3="6.36258"
                           zFract="0.28634473"/>
                     <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="6.28826"
                           xFract="0.7450545"
                           y3="-0.02576"
                           yFract="-0.00305213"
                           z3="6.31264"
                           zFract="0.28409721"/>
                     <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="4.17248"
                           xFract="0.49436967"
                           y3="-0.12893"
                           yFract="-0.01527607"
                           z3="4.25083"
                           zFract="0.19130648"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24261"
                           xFract="0.50267891"
                           y3="0.06043"
                           yFract="0.00715995"
                           z3="8.47108"
                           zFract="0.38123672"/>
                     <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="6.2442"
                           xFract="0.73983412"
                           y3="2.22646"
                           yFract="0.26379858"
                           z3="4.29932"
                           zFract="0.19348875"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2805"
                           xFract="0.74413507"
                           y3="2.12827"
                           yFract="0.25216469"
                           z3="8.45092"
                           zFract="0.38032943"/>
                     <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="-0.17138"
                           xFract="-0.02030569"
                           y3="6.33297"
                           yFract="0.7503519"
                           z3="6.19039"
                           zFract="0.27859541"/>
                     <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="2.16918"
                           xFract="0.25701185"
                           y3="4.3134"
                           yFract="0.51106635"
                           z3="6.34284"
                           zFract="0.28545635"/>
                     <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="-0.00267"
                           xFract="-0.00031635"
                           y3="4.30296"
                           yFract="0.50982938"
                           z3="4.25762"
                           zFract="0.19161206"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00587"
                           xFract="0.0006955"
                           y3="4.19102"
                           yFract="0.49656635"
                           z3="8.47649"
                           zFract="0.3814802"/>
                     <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="2.32658"
                           xFract="0.27566114"
                           y3="6.26248"
                           yFract="0.7420"
                           z3="4.09609"
                           zFract="0.18434248"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.18339"
                           xFract="0.2586955"
                           y3="6.31335"
                           yFract="0.74802725"
                           z3="8.56382"
                           zFract="0.38541044"/>
                     <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="4.38586"
                           xFract="0.51965166"
                           y3="6.32315"
                           yFract="0.74918839"
                           z3="6.2556"
                           zFract="0.28153015"/>
                     <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="6.25982"
                           xFract="0.74168483"
                           y3="4.24538"
                           yFract="0.50300711"
                           z3="6.35085"
                           zFract="0.28581683"/>
                     <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="4.22947"
                           xFract="0.50112204"
                           y3="4.34407"
                           yFract="0.51470024"
                           z3="4.31238"
                           zFract="0.19407651"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23624"
                           xFract="0.50192417"
                           y3="4.15896"
                           yFract="0.49276777"
                           z3="8.3681"
                           zFract="0.37660216"/>
                     <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="6.12649"
                           xFract="0.72588744"
                           y3="6.28434"
                           yFract="0.74459005"
                           z3="4.29022"
                           zFract="0.19307921"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28357"
                           xFract="0.74449882"
                           y3="6.30252"
                           yFract="0.74674408"
                           z3="8.38123"
                           zFract="0.37719307"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a38" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a31" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a56" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a64" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.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="6.33935"
                           xFract="0.75110782"
                           y3="4.19634"
                           yFract="0.49719668"
                           z3="8.39602"
                           zFract="0.37785869"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31364"
                           xFract="0.74806161"
                           y3="6.32544"
                           yFract="0.74945972"
                           z3="6.30739"
                           zFract="0.28386094"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.21999"
                           xFract="0.49999882"
                           y3="6.30181"
                           yFract="0.74665995"
                           z3="4.18713"
                           zFract="0.18843969"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.23065"
                           xFract="0.50126185"
                           y3="4.23264"
                           yFract="0.50149763"
                           z3="6.34268"
                           zFract="0.28544914"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.23295"
                           xFract="0.50153436"
                           y3="-0.01304"
                           yFract="-0.00154502"
                           z3="6.36916"
                           zFract="0.28664086"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.22982"
                           xFract="0.50116351"
                           y3="2.12384"
                           yFract="0.25163981"
                           z3="8.4483"
                           zFract="0.38021152"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.32525"
                           xFract="0.7494372"
                           y3="4.24194"
                           yFract="0.50259953"
                           z3="4.20258"
                           zFract="0.18913501"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.3302"
                           xFract="0.7500237"
                           y3="2.08847"
                           yFract="0.24744905"
                           z3="6.3530"
                           zFract="0.28591359"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10561"
                           xFract="0.24947986"
                           y3="4.21507"
                           yFract="0.49941588"
                           z3="8.39499"
                           zFract="0.37781233"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1158"
                           xFract="0.2506872"
                           y3="4.2508"
                           yFract="0.50364929"
                           z3="4.24463"
                           zFract="0.19102745"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.0031"
                           xFract="-0.0003673"
                           y3="6.34472"
                           yFract="0.75174408"
                           z3="4.17544"
                           zFract="0.18791359"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.09093"
                           xFract="0.24774052"
                           y3="-0.00392"
                           yFract="-0.00046445"
                           z3="4.21099"
                           zFract="0.1895135"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.10133"
                           xFract="0.24897275"
                           y3="6.34434"
                           yFract="0.75169905"
                           z3="6.33796"
                           zFract="0.28523672"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01682"
                           xFract="-0.00199289"
                           y3="2.12922"
                           yFract="0.25227725"
                           z3="8.6459"
                           zFract="0.38910441"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.00617"
                           xFract="0.00073104"
                           y3="6.31134"
                           yFract="0.7477891"
                           z3="8.58416"
                           zFract="0.38632583"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.34687"
                           xFract="0.75199882"
                           y3="0.0164"
                           yFract="0.00194313"
                           z3="4.18985"
                           zFract="0.18856211"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.08655"
                           xFract="0.24722156"
                           y3="2.07887"
                           yFract="0.24631161"
                           z3="6.34855"
                           zFract="0.28571332"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01043"
                           xFract="-0.00123578"
                           y3="-0.00807"
                           yFract="-0.00095616"
                           z3="6.40225"
                           zFract="0.28813006"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.21629"
                           xFract="0.49956043"
                           y3="6.3268"
                           yFract="0.74962085"
                           z3="8.46297"
                           zFract="0.38087174"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.0280"
                           xFract="-0.00331754"
                           y3="4.21777"
                           yFract="0.49973578"
                           z3="6.39055"
                           zFract="0.28760351"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2247"
                           xFract="0.50055687"
                           y3="2.08593"
                           yFract="0.2471481"
                           z3="4.21657"
                           zFract="0.18976463"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34526"
                           xFract="0.75180806"
                           y3="0.01411"
                           yFract="0.0016718"
                           z3="8.48252"
                           zFract="0.38175158"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01363"
                           xFract="-0.00161493"
                           y3="2.10001"
                           yFract="0.24881635"
                           z3="4.1694"
                           zFract="0.18764176"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.09787"
                           xFract="0.2485628"
                           y3="0.00605"
                           yFract="0.00071682"
                           z3="8.50877"
                           zFract="0.38293294"/>
                     <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="-0.00611"
                           xFract="-0.00072393"
                           y3="2.10436"
                           yFract="0.24933175"
                           z3="6.21782"
                           zFract="0.27982988"/>
                     <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="2.15405"
                           xFract="0.25521919"
                           y3="-0.08777"
                           yFract="-0.01039929"
                           z3="6.33892"
                           zFract="0.28527993"/>
                     <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="0.04458"
                           xFract="0.00528199"
                           y3="-0.07337"
                           yFract="-0.00869313"
                           z3="4.24299"
                           zFract="0.19095365"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01119"
                           xFract="-0.00132583"
                           y3="0.03039"
                           yFract="0.00360071"
                           z3="8.5181"
                           zFract="0.38335284"/>
                     <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="2.1875"
                           xFract="0.25918246"
                           y3="2.23867"
                           yFract="0.26524526"
                           z3="4.20855"
                           zFract="0.18940369"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.16897"
                           xFract="0.25698697"
                           y3="2.1239"
                           yFract="0.25164692"
                           z3="8.4859"
                           zFract="0.38190369"/>
                     <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="4.21694"
                           xFract="0.49963744"
                           y3="2.10398"
                           yFract="0.24928673"
                           z3="6.36251"
                           zFract="0.28634158"/>
                     <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="6.28858"
                           xFract="0.74509242"
                           y3="-0.02558"
                           yFract="-0.00303081"
                           z3="6.3126"
                           zFract="0.28409541"/>
                     <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="4.17185"
                           xFract="0.49429502"
                           y3="-0.1304"
                           yFract="-0.01545024"
                           z3="4.2506"
                           zFract="0.19129613"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24285"
                           xFract="0.50270735"
                           y3="0.06075"
                           yFract="0.00719787"
                           z3="8.47149"
                           zFract="0.38125518"/>
                     <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="6.24388"
                           xFract="0.73979621"
                           y3="2.22706"
                           yFract="0.26386967"
                           z3="4.29973"
                           zFract="0.1935072"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28055"
                           xFract="0.744141"
                           y3="2.12826"
                           yFract="0.25216351"
                           z3="8.45113"
                           zFract="0.38033888"/>
                     <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="-0.1732"
                           xFract="-0.02052133"
                           y3="6.33287"
                           yFract="0.75034005"
                           z3="6.18969"
                           zFract="0.27856391"/>
                     <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="2.16915"
                           xFract="0.25700829"
                           y3="4.31494"
                           yFract="0.51124882"
                           z3="6.3430"
                           zFract="0.28546355"/>
                     <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="-0.00283"
                           xFract="-0.00033531"
                           y3="4.30396"
                           yFract="0.50994787"
                           z3="4.25785"
                           zFract="0.19162241"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00595"
                           xFract="0.00070498"
                           y3="4.19078"
                           yFract="0.49653791"
                           z3="8.47668"
                           zFract="0.38148875"/>
                     <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="2.32915"
                           xFract="0.27596564"
                           y3="6.26206"
                           yFract="0.74195024"
                           z3="4.09536"
                           zFract="0.18430963"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.18419"
                           xFract="0.25879028"
                           y3="6.31361"
                           yFract="0.74805806"
                           z3="8.56506"
                           zFract="0.38546625"/>
                     <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="4.38636"
                           xFract="0.5197109"
                           y3="6.32328"
                           yFract="0.74920379"
                           z3="6.25651"
                           zFract="0.28157111"/>
                     <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="6.26034"
                           xFract="0.74174645"
                           y3="4.24503"
                           yFract="0.50296564"
                           z3="6.35089"
                           zFract="0.28581863"/>
                     <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="4.22975"
                           xFract="0.50115521"
                           y3="4.34511"
                           yFract="0.51482346"
                           z3="4.31277"
                           zFract="0.19409406"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23648"
                           xFract="0.50195261"
                           y3="4.15874"
                           yFract="0.49274171"
                           z3="8.36726"
                           zFract="0.37656436"/>
                     <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="6.12422"
                           xFract="0.72561848"
                           y3="6.28418"
                           yFract="0.74457109"
                           z3="4.28996"
                           zFract="0.19306751"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28315"
                           xFract="0.74444905"
                           y3="6.30246"
                           yFract="0.74673697"
                           z3="8.38069"
                           zFract="0.37716877"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a38" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a31" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a64" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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="6.34232"
                           xFract="0.75145972"
                           y3="4.19907"
                           yFract="0.49752014"
                           z3="8.40119"
                           zFract="0.37809136"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31085"
                           xFract="0.74773104"
                           y3="6.33242"
                           yFract="0.75028673"
                           z3="6.31167"
                           zFract="0.28405356"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.22288"
                           xFract="0.50034123"
                           y3="6.31315"
                           yFract="0.74800355"
                           z3="4.19667"
                           zFract="0.18886904"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.22265"
                           xFract="0.50031398"
                           y3="4.23454"
                           yFract="0.50172275"
                           z3="6.34042"
                           zFract="0.28534743"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.22608"
                           xFract="0.50072038"
                           y3="-0.01793"
                           yFract="-0.00212441"
                           z3="6.36416"
                           zFract="0.28641584"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23166"
                           xFract="0.50138152"
                           y3="2.11799"
                           yFract="0.25094668"
                           z3="8.43928"
                           zFract="0.37980558"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.32377"
                           xFract="0.74926185"
                           y3="4.25039"
                           yFract="0.50360071"
                           z3="4.20036"
                           zFract="0.1890351"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33195"
                           xFract="0.75023104"
                           y3="2.08667"
                           yFract="0.24723578"
                           z3="6.36117"
                           zFract="0.28628128"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10456"
                           xFract="0.24935545"
                           y3="4.21801"
                           yFract="0.49976422"
                           z3="8.40063"
                           zFract="0.37806616"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11714"
                           xFract="0.25084597"
                           y3="4.26024"
                           yFract="0.50476777"
                           z3="4.25232"
                           zFract="0.19137354"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00361"
                           xFract="-0.00042773"
                           y3="6.35216"
                           yFract="0.75262559"
                           z3="4.18802"
                           zFract="0.18847975"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.08952"
                           xFract="0.24757346"
                           y3="-0.00672"
                           yFract="-0.00079621"
                           z3="4.22097"
                           zFract="0.18996265"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09637"
                           xFract="0.24838507"
                           y3="6.34347"
                           yFract="0.75159597"
                           z3="6.33835"
                           zFract="0.28525428"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.0148"
                           xFract="-0.00175355"
                           y3="2.12769"
                           yFract="0.25209597"
                           z3="8.64625"
                           zFract="0.38912016"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.00805"
                           xFract="0.00095379"
                           y3="6.31084"
                           yFract="0.74772986"
                           z3="8.58665"
                           zFract="0.38643789"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.34996"
                           xFract="0.75236493"
                           y3="0.01642"
                           yFract="0.0019455"
                           z3="4.19445"
                           zFract="0.18876913"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.08325"
                           xFract="0.24683057"
                           y3="2.07694"
                           yFract="0.24608294"
                           z3="6.35237"
                           zFract="0.28588524"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00782"
                           xFract="-0.00092654"
                           y3="-0.01072"
                           yFract="-0.00127014"
                           z3="6.40669"
                           zFract="0.28832988"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.21856"
                           xFract="0.49982938"
                           y3="6.33025"
                           yFract="0.75002962"
                           z3="8.46323"
                           zFract="0.38088344"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.0205"
                           xFract="-0.00242891"
                           y3="4.22017"
                           yFract="0.50002014"
                           z3="6.39612"
                           zFract="0.28785419"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.22207"
                           xFract="0.50024526"
                           y3="2.08221"
                           yFract="0.24670735"
                           z3="4.21384"
                           zFract="0.18964176"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3458"
                           xFract="0.75187204"
                           y3="0.01067"
                           yFract="0.00126422"
                           z3="8.48266"
                           zFract="0.38175788"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01554"
                           xFract="-0.00184123"
                           y3="2.09418"
                           yFract="0.24812559"
                           z3="4.18258"
                           zFract="0.18823492"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.0989"
                           xFract="0.24868483"
                           y3="0.00251"
                           yFract="0.00029739"
                           z3="8.51026"
                           zFract="0.3830"/>
                     <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="-0.01018"
                           xFract="-0.00120616"
                           y3="2.10497"
                           yFract="0.24940403"
                           z3="6.20717"
                           zFract="0.27935059"/>
                     <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="2.15087"
                           xFract="0.25484242"
                           y3="-0.09821"
                           yFract="-0.01163626"
                           z3="6.3420"
                           zFract="0.28541854"/>
                     <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="0.04902"
                           xFract="0.00580806"
                           y3="-0.06921"
                           yFract="-0.00820024"
                           z3="4.24068"
                           zFract="0.19084968"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01181"
                           xFract="-0.00139929"
                           y3="0.02955"
                           yFract="0.00350118"
                           z3="8.52781"
                           zFract="0.38378983"/>
                     <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="2.17684"
                           xFract="0.25791943"
                           y3="2.23296"
                           yFract="0.26456872"
                           z3="4.20365"
                           zFract="0.18918317"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1645"
                           xFract="0.25645735"
                           y3="2.12369"
                           yFract="0.25162204"
                           z3="8.4861"
                           zFract="0.38191269"/>
                     <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="4.21615"
                           xFract="0.49954384"
                           y3="2.10197"
                           yFract="0.24904858"
                           z3="6.3689"
                           zFract="0.28662916"/>
                     <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="6.29176"
                           xFract="0.74546919"
                           y3="-0.01664"
                           yFract="-0.00197156"
                           z3="6.30819"
                           zFract="0.28389694"/>
                     <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="4.16861"
                           xFract="0.49391114"
                           y3="-0.13837"
                           yFract="-0.01639455"
                           z3="4.24952"
                           zFract="0.19124752"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24442"
                           xFract="0.50289336"
                           y3="0.06509"
                           yFract="0.00771209"
                           z3="8.47596"
                           zFract="0.38145635"/>
                     <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="6.25586"
                           xFract="0.74121564"
                           y3="2.21903"
                           yFract="0.26291825"
                           z3="4.29753"
                           zFract="0.19340819"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2830"
                           xFract="0.74443128"
                           y3="2.13035"
                           yFract="0.25241114"
                           z3="8.44967"
                           zFract="0.38027318"/>
                     <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="-0.17038"
                           xFract="-0.0201872"
                           y3="6.33122"
                           yFract="0.75014455"
                           z3="6.18734"
                           zFract="0.27845815"/>
                     <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="2.16399"
                           xFract="0.25639692"
                           y3="4.32773"
                           yFract="0.51276422"
                           z3="6.33581"
                           zFract="0.28513996"/>
                     <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="-0.00225"
                           xFract="-0.00026659"
                           y3="4.30243"
                           yFract="0.50976659"
                           z3="4.24859"
                           zFract="0.19120567"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00381"
                           xFract="0.00045142"
                           y3="4.19384"
                           yFract="0.49690047"
                           z3="8.48014"
                           zFract="0.38164446"/>
                     <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="2.31954"
                           xFract="0.27482701"
                           y3="6.26131"
                           yFract="0.74186137"
                           z3="4.1016"
                           zFract="0.18459046"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.18087"
                           xFract="0.25839692"
                           y3="6.31591"
                           yFract="0.74833057"
                           z3="8.57392"
                           zFract="0.38586499"/>
                     <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="4.37533"
                           xFract="0.51840403"
                           y3="6.32544"
                           yFract="0.74945972"
                           z3="6.27552"
                           zFract="0.28242664"/>
                     <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="6.26659"
                           xFract="0.74248697"
                           y3="4.23537"
                           yFract="0.50182109"
                           z3="6.34852"
                           zFract="0.28571197"/>
                     <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="4.22748"
                           xFract="0.50088626"
                           y3="4.34331"
                           yFract="0.51461019"
                           z3="4.30941"
                           zFract="0.19394284"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2372"
                           xFract="0.50203791"
                           y3="4.15559"
                           yFract="0.49236848"
                           z3="8.37092"
                           zFract="0.37672907"/>
                     <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="6.13126"
                           xFract="0.72645261"
                           y3="6.2882"
                           yFract="0.74504739"
                           z3="4.27619"
                           zFract="0.19244779"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28878"
                           xFract="0.74511611"
                           y3="6.30207"
                           yFract="0.74669076"
                           z3="8.38135"
                           zFract="0.37719847"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a64" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.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="6.34312"
                           xFract="0.7515545"
                           y3="4.19981"
                           yFract="0.49760782"
                           z3="8.40257"
                           zFract="0.37815347"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3101"
                           xFract="0.74764218"
                           y3="6.33429"
                           yFract="0.75050829"
                           z3="6.31282"
                           zFract="0.28410531"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.22365"
                           xFract="0.50043246"
                           y3="6.31619"
                           yFract="0.74836374"
                           z3="4.19923"
                           zFract="0.18898425"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.22051"
                           xFract="0.50006043"
                           y3="4.23505"
                           yFract="0.50178318"
                           z3="6.33981"
                           zFract="0.28531998"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.22424"
                           xFract="0.50050237"
                           y3="-0.01925"
                           yFract="-0.00228081"
                           z3="6.36282"
                           zFract="0.28635554"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23216"
                           xFract="0.50144076"
                           y3="2.11643"
                           yFract="0.25076185"
                           z3="8.43686"
                           zFract="0.37969667"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.32337"
                           xFract="0.74921445"
                           y3="4.25266"
                           yFract="0.50386967"
                           z3="4.19976"
                           zFract="0.1890081"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33242"
                           xFract="0.75028673"
                           y3="2.08619"
                           yFract="0.24717891"
                           z3="6.36336"
                           zFract="0.28637984"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10428"
                           xFract="0.24932227"
                           y3="4.2188"
                           yFract="0.49985782"
                           z3="8.40214"
                           zFract="0.37813411"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1175"
                           xFract="0.25088863"
                           y3="4.26276"
                           yFract="0.50506635"
                           z3="4.25438"
                           zFract="0.19146625"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00375"
                           xFract="-0.00044431"
                           y3="6.35416"
                           yFract="0.75286256"
                           z3="4.19139"
                           zFract="0.18863141"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.08915"
                           xFract="0.24752962"
                           y3="-0.00746"
                           yFract="-0.00088389"
                           z3="4.22365"
                           zFract="0.19008326"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09504"
                           xFract="0.24822749"
                           y3="6.34324"
                           yFract="0.75156872"
                           z3="6.33845"
                           zFract="0.28525878"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01426"
                           xFract="-0.00168957"
                           y3="2.12728"
                           yFract="0.25204739"
                           z3="8.64635"
                           zFract="0.38912466"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.00856"
                           xFract="0.00101422"
                           y3="6.3107"
                           yFract="0.74771327"
                           z3="8.58732"
                           zFract="0.38646805"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.35079"
                           xFract="0.75246327"
                           y3="0.01642"
                           yFract="0.0019455"
                           z3="4.19568"
                           zFract="0.18882448"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.08236"
                           xFract="0.24672512"
                           y3="2.07642"
                           yFract="0.24602133"
                           z3="6.3534"
                           zFract="0.28593159"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00712"
                           xFract="-0.0008436"
                           y3="-0.01142"
                           yFract="-0.00135308"
                           z3="6.40787"
                           zFract="0.28838299"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.21918"
                           xFract="0.49990284"
                           y3="6.33118"
                           yFract="0.75013981"
                           z3="8.4633"
                           zFract="0.38088659"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.01849"
                           xFract="-0.00219076"
                           y3="4.22082"
                           yFract="0.50009716"
                           z3="6.39761"
                           zFract="0.28792124"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.22136"
                           xFract="0.50016114"
                           y3="2.08122"
                           yFract="0.24659005"
                           z3="4.21311"
                           zFract="0.18960891"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34594"
                           xFract="0.75188863"
                           y3="0.00975"
                           yFract="0.00115521"
                           z3="8.4827"
                           zFract="0.38175968"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01606"
                           xFract="-0.00190284"
                           y3="2.09261"
                           yFract="0.24793957"
                           z3="4.18612"
                           zFract="0.18839424"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.09918"
                           xFract="0.24871801"
                           y3="0.00156"
                           yFract="0.00018483"
                           z3="8.51066"
                           zFract="0.383018"/>
                     <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="-0.01127"
                           xFract="-0.00133531"
                           y3="2.10513"
                           yFract="0.24942299"
                           z3="6.20432"
                           zFract="0.27922232"/>
                     <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="2.15002"
                           xFract="0.25474171"
                           y3="-0.10101"
                           yFract="-0.01196801"
                           z3="6.34283"
                           zFract="0.2854559"/>
                     <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="0.05022"
                           xFract="0.00595024"
                           y3="-0.0681"
                           yFract="-0.00806872"
                           z3="4.24006"
                           zFract="0.19082178"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01198"
                           xFract="-0.00141943"
                           y3="0.02933"
                           yFract="0.00347512"
                           z3="8.53041"
                           zFract="0.38390684"/>
                     <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="2.17398"
                           xFract="0.25758057"
                           y3="2.23143"
                           yFract="0.26438744"
                           z3="4.20233"
                           zFract="0.18912376"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1633"
                           xFract="0.25631517"
                           y3="2.12364"
                           yFract="0.25161611"
                           z3="8.48615"
                           zFract="0.38191494"/>
                     <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="4.21593"
                           xFract="0.49951777"
                           y3="2.10144"
                           yFract="0.24898578"
                           z3="6.37061"
                           zFract="0.28670612"/>
                     <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="6.29262"
                           xFract="0.74557109"
                           y3="-0.01425"
                           yFract="-0.00168839"
                           z3="6.30701"
                           zFract="0.28384383"/>
                     <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="4.16774"
                           xFract="0.49380806"
                           y3="-0.14051"
                           yFract="-0.0166481"
                           z3="4.24923"
                           zFract="0.19123447"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24484"
                           xFract="0.50294313"
                           y3="0.06625"
                           yFract="0.00784953"
                           z3="8.47716"
                           zFract="0.38151035"/>
                     <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="6.25907"
                           xFract="0.74159597"
                           y3="2.21688"
                           yFract="0.26266351"
                           z3="4.29694"
                           zFract="0.19338164"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28365"
                           xFract="0.74450829"
                           y3="2.13091"
                           yFract="0.25247749"
                           z3="8.44928"
                           zFract="0.38025563"/>
                     <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="-0.16962"
                           xFract="-0.02009716"
                           y3="6.33078"
                           yFract="0.75009242"
                           z3="6.18671"
                           zFract="0.27842979"/>
                     <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="2.1626"
                           xFract="0.25623223"
                           y3="4.33116"
                           yFract="0.51317062"
                           z3="6.33388"
                           zFract="0.28505311"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a66"
                           x3="-0.00209"
                           xFract="-0.00024763"
                           y3="4.30202"
                           yFract="0.50971801"
                           z3="4.24611"
                           zFract="0.19109406"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00324"
                           xFract="0.00038389"
                           y3="4.19466"
                           yFract="0.49699763"
                           z3="8.48107"
                           zFract="0.38168632"/>
                     <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="2.31696"
                           xFract="0.27452133"
                           y3="6.2611"
                           yFract="0.74183649"
                           z3="4.10327"
                           zFract="0.18466562"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17998"
                           xFract="0.25829147"
                           y3="6.31652"
                           yFract="0.74840284"
                           z3="8.57629"
                           zFract="0.38597165"/>
                     <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="4.37237"
                           xFract="0.51805332"
                           y3="6.32602"
                           yFract="0.74952844"
                           z3="6.28062"
                           zFract="0.28265617"/>
                     <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="6.26826"
                           xFract="0.74268483"
                           y3="4.23279"
                           yFract="0.5015154"
                           z3="6.34789"
                           zFract="0.28568362"/>
                     <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="4.22688"
                           xFract="0.50081517"
                           y3="4.34282"
                           yFract="0.51455213"
                           z3="4.30851"
                           zFract="0.19390234"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23739"
                           xFract="0.50206043"
                           y3="4.15474"
                           yFract="0.49226777"
                           z3="8.3719"
                           zFract="0.37677318"/>
                     <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="6.13315"
                           xFract="0.72667654"
                           y3="6.28927"
                           yFract="0.74517417"
                           z3="4.27251"
                           zFract="0.19228218"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29028"
                           xFract="0.74529384"
                           y3="6.30197"
                           yFract="0.74667891"
                           z3="8.38153"
                           zFract="0.37720657"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a64" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.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="6.34471"
                           xFract="0.75174289"
                           y3="4.20127"
                           yFract="0.49778081"
                           z3="8.40534"
                           zFract="0.37827813"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30861"
                           xFract="0.74746564"
                           y3="6.33803"
                           yFract="0.75095142"
                           z3="6.31511"
                           zFract="0.28420837"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2252"
                           xFract="0.50061611"
                           y3="6.32226"
                           yFract="0.74908294"
                           z3="4.20435"
                           zFract="0.18921467"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21622"
                           xFract="0.49955213"
                           y3="4.23607"
                           yFract="0.50190403"
                           z3="6.33859"
                           zFract="0.28526508"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.22056"
                           xFract="0.50006635"
                           y3="-0.02187"
                           yFract="-0.00259123"
                           z3="6.36014"
                           zFract="0.28623492"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23314"
                           xFract="0.50155687"
                           y3="2.1133"
                           yFract="0.250391"
                           z3="8.43203"
                           zFract="0.3794793"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.32258"
                           xFract="0.74912085"
                           y3="4.25719"
                           yFract="0.5044064"
                           z3="4.19857"
                           zFract="0.18895455"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33336"
                           xFract="0.7503981"
                           y3="2.08523"
                           yFract="0.24706517"
                           z3="6.36774"
                           zFract="0.28657696"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10371"
                           xFract="0.24925474"
                           y3="4.22037"
                           yFract="0.50004384"
                           z3="8.40516"
                           zFract="0.37827003"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11821"
                           xFract="0.25097275"
                           y3="4.26782"
                           yFract="0.50566588"
                           z3="4.2585"
                           zFract="0.19165167"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00403"
                           xFract="-0.00047749"
                           y3="6.35815"
                           yFract="0.75333531"
                           z3="4.19813"
                           zFract="0.18893474"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.08839"
                           xFract="0.24743957"
                           y3="-0.00896"
                           yFract="-0.00106161"
                           z3="4.2290"
                           zFract="0.19032403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09237"
                           xFract="0.24791114"
                           y3="6.34278"
                           yFract="0.75151422"
                           z3="6.33866"
                           zFract="0.28526823"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01318"
                           xFract="-0.00156161"
                           y3="2.12646"
                           yFract="0.25195024"
                           z3="8.64654"
                           zFract="0.38913321"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.00956"
                           xFract="0.0011327"
                           y3="6.31043"
                           yFract="0.74768128"
                           z3="8.58866"
                           zFract="0.38652835"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.35244"
                           xFract="0.75265877"
                           y3="0.01643"
                           yFract="0.00194668"
                           z3="4.19815"
                           zFract="0.18893564"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.08059"
                           xFract="0.2465154"
                           y3="2.07539"
                           yFract="0.24589929"
                           z3="6.35545"
                           zFract="0.28602385"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00572"
                           xFract="-0.00067773"
                           y3="-0.01284"
                           yFract="-0.00152133"
                           z3="6.41025"
                           zFract="0.2884901"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2204"
                           xFract="0.50004739"
                           y3="6.33304"
                           yFract="0.75036019"
                           z3="8.46344"
                           zFract="0.38089289"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.01447"
                           xFract="-0.00171445"
                           y3="4.2221"
                           yFract="0.50024882"
                           z3="6.40059"
                           zFract="0.28805536"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21995"
                           xFract="0.49999408"
                           y3="2.07923"
                           yFract="0.24635427"
                           z3="4.21164"
                           zFract="0.18954275"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34623"
                           xFract="0.75192299"
                           y3="0.0079"
                           yFract="0.00093602"
                           z3="8.48278"
                           zFract="0.38176328"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01709"
                           xFract="-0.00202488"
                           y3="2.08949"
                           yFract="0.24756991"
                           z3="4.19318"
                           zFract="0.18871197"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.09973"
                           xFract="0.24878318"
                           y3="-0.00033"
                           yFract="-0.0000391"
                           z3="8.51146"
                           zFract="0.38305401"/>
                     <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="-0.01345"
                           xFract="-0.0015936"
                           y3="2.10546"
                           yFract="0.24946209"
                           z3="6.19861"
                           zFract="0.27896535"/>
                     <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="2.14832"
                           xFract="0.25454028"
                           y3="-0.10661"
                           yFract="-0.01263152"
                           z3="6.34448"
                           zFract="0.28553015"/>
                     <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="0.0526"
                           xFract="0.00623223"
                           y3="-0.06587"
                           yFract="-0.0078045"
                           z3="4.23882"
                           zFract="0.19076598"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01231"
                           xFract="-0.00145853"
                           y3="0.02887"
                           yFract="0.00342062"
                           z3="8.53562"
                           zFract="0.38414131"/>
                     <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="2.16826"
                           xFract="0.25690284"
                           y3="2.22838"
                           yFract="0.26402607"
                           z3="4.1997"
                           zFract="0.1890054"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.16091"
                           xFract="0.25603199"
                           y3="2.12353"
                           yFract="0.25160308"
                           z3="8.48626"
                           zFract="0.38191989"/>
                     <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="4.21551"
                           xFract="0.49946801"
                           y3="2.10036"
                           yFract="0.24885782"
                           z3="6.37403"
                           zFract="0.28686004"/>
                     <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="6.29432"
                           xFract="0.74577251"
                           y3="-0.00946"
                           yFract="-0.00112085"
                           z3="6.30465"
                           zFract="0.28373762"/>
                     <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="4.16601"
                           xFract="0.49360308"
                           y3="-0.14478"
                           yFract="-0.01715403"
                           z3="4.24865"
                           zFract="0.19120837"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24569"
                           xFract="0.50304384"
                           y3="0.06857"
                           yFract="0.00812441"
                           z3="8.47955"
                           zFract="0.38161791"/>
                     <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="6.26549"
                           xFract="0.74235664"
                           y3="2.21258"
                           yFract="0.26215403"
                           z3="4.29576"
                           zFract="0.19332853"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28496"
                           xFract="0.74466351"
                           y3="2.13203"
                           yFract="0.25261019"
                           z3="8.4485"
                           zFract="0.38022052"/>
                     <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="-0.16811"
                           xFract="-0.01991825"
                           y3="6.3299"
                           yFract="0.74998815"
                           z3="6.18545"
                           zFract="0.27837309"/>
                     <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="2.15984"
                           xFract="0.25590521"
                           y3="4.33802"
                           yFract="0.51398341"
                           z3="6.33003"
                           zFract="0.28487984"/>
                     <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="-0.00178"
                           xFract="-0.0002109"
                           y3="4.3012"
                           yFract="0.50962085"
                           z3="4.24114"
                           zFract="0.19087039"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00209"
                           xFract="0.00024763"
                           y3="4.19629"
                           yFract="0.49719076"
                           z3="8.48292"
                           zFract="0.38176958"/>
                     <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="2.31181"
                           xFract="0.27391114"
                           y3="6.2607"
                           yFract="0.7417891"
                           z3="4.10661"
                           zFract="0.18481593"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1782"
                           xFract="0.25808057"
                           y3="6.31775"
                           yFract="0.74854858"
                           z3="8.58104"
                           zFract="0.38618542"/>
                     <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="4.36646"
                           xFract="0.51735308"
                           y3="6.32717"
                           yFract="0.74966469"
                           z3="6.2908"
                           zFract="0.28311431"/>
                     <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="6.27161"
                           xFract="0.74308175"
                           y3="4.22761"
                           yFract="0.50090166"
                           z3="6.34662"
                           zFract="0.28562646"/>
                     <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="4.22566"
                           xFract="0.50067062"
                           y3="4.34185"
                           yFract="0.5144372"
                           z3="4.30671"
                           zFract="0.19382133"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23778"
                           xFract="0.50210664"
                           y3="4.15305"
                           yFract="0.49206754"
                           z3="8.37387"
                           zFract="0.37686184"/>
                     <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="6.13692"
                           xFract="0.72712322"
                           y3="6.29142"
                           yFract="0.74542891"
                           z3="4.26513"
                           zFract="0.19195005"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2933"
                           xFract="0.74565166"
                           y3="6.30176"
                           yFract="0.74665403"
                           z3="8.38188"
                           zFract="0.37722232"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.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="6.34368"
                           xFract="0.75162085"
                           y3="4.20032"
                           yFract="0.49766825"
                           z3="8.40354"
                           zFract="0.37819712"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30958"
                           xFract="0.74758057"
                           y3="6.3356"
                           yFract="0.75066351"
                           z3="6.31362"
                           zFract="0.28414131"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.22419"
                           xFract="0.50049645"
                           y3="6.31831"
                           yFract="0.74861493"
                           z3="4.20102"
                           zFract="0.18906481"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21901"
                           xFract="0.4998827"
                           y3="4.23541"
                           yFract="0.50182583"
                           z3="6.33938"
                           zFract="0.28530063"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.22295"
                           xFract="0.50034953"
                           y3="-0.02016"
                           yFract="-0.00238863"
                           z3="6.36188"
                           zFract="0.28631323"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2325"
                           xFract="0.50148104"
                           y3="2.11533"
                           yFract="0.25063152"
                           z3="8.43517"
                           zFract="0.37962061"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3231"
                           xFract="0.74918246"
                           y3="4.25424"
                           yFract="0.50405687"
                           z3="4.19935"
                           zFract="0.18898965"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33275"
                           xFract="0.75032583"
                           y3="2.08585"
                           yFract="0.24713863"
                           z3="6.36489"
                           zFract="0.28644869"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10408"
                           xFract="0.24929858"
                           y3="4.21935"
                           yFract="0.49992299"
                           z3="8.4032"
                           zFract="0.37818182"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11775"
                           xFract="0.25091825"
                           y3="4.26453"
                           yFract="0.50527607"
                           z3="4.25583"
                           zFract="0.1915315"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00385"
                           xFract="-0.00045616"
                           y3="6.35555"
                           yFract="0.75302725"
                           z3="4.19374"
                           zFract="0.18873717"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.08888"
                           xFract="0.24749763"
                           y3="-0.00799"
                           yFract="-0.00094668"
                           z3="4.22552"
                           zFract="0.19016742"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.0941"
                           xFract="0.24811611"
                           y3="6.34308"
                           yFract="0.75154976"
                           z3="6.33852"
                           zFract="0.28526193"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01388"
                           xFract="-0.00164455"
                           y3="2.12699"
                           yFract="0.25201303"
                           z3="8.64641"
                           zFract="0.38912736"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.00891"
                           xFract="0.00105569"
                           y3="6.3106"
                           yFract="0.74770142"
                           z3="8.58779"
                           zFract="0.3864892"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.35137"
                           xFract="0.75253199"
                           y3="0.01642"
                           yFract="0.0019455"
                           z3="4.19655"
                           zFract="0.18886364"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.08174"
                           xFract="0.24665166"
                           y3="2.07606"
                           yFract="0.24597867"
                           z3="6.35412"
                           zFract="0.285964"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00663"
                           xFract="-0.00078555"
                           y3="-0.01192"
                           yFract="-0.00141232"
                           z3="6.40871"
                           zFract="0.28842079"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2196"
                           xFract="0.49995261"
                           y3="6.33183"
                           yFract="0.75021682"
                           z3="8.46335"
                           zFract="0.38088884"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.01709"
                           xFract="-0.00202488"
                           y3="4.22127"
                           yFract="0.50015047"
                           z3="6.39865"
                           zFract="0.28796805"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.22087"
                           xFract="0.50010308"
                           y3="2.08052"
                           yFract="0.24650711"
                           z3="4.21259"
                           zFract="0.18958551"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34604"
                           xFract="0.75190047"
                           y3="0.0091"
                           yFract="0.0010782"
                           z3="8.48273"
                           zFract="0.38176103"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01642"
                           xFract="-0.0019455"
                           y3="2.09152"
                           yFract="0.24781043"
                           z3="4.18859"
                           zFract="0.1885054"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.09937"
                           xFract="0.24874052"
                           y3="0.0009"
                           yFract="0.00010664"
                           z3="8.51094"
                           zFract="0.3830306"/>
                     <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="-0.01203"
                           xFract="-0.00142536"
                           y3="2.10525"
                           yFract="0.2494372"
                           z3="6.20232"
                           zFract="0.27913231"/>
                     <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="2.14942"
                           xFract="0.25467062"
                           y3="-0.10297"
                           yFract="-0.01220024"
                           z3="6.3434"
                           zFract="0.28548155"/>
                     <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="0.05105"
                           xFract="0.00604858"
                           y3="-0.06732"
                           yFract="-0.0079763"
                           z3="4.23963"
                           zFract="0.19080243"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.0121"
                           xFract="-0.00143365"
                           y3="0.02917"
                           yFract="0.00345616"
                           z3="8.53223"
                           zFract="0.38398875"/>
                     <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="2.17198"
                           xFract="0.2573436"
                           y3="2.23036"
                           yFract="0.26426066"
                           z3="4.20141"
                           zFract="0.18908236"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.16247"
                           xFract="0.25621682"
                           y3="2.1236"
                           yFract="0.25161137"
                           z3="8.48619"
                           zFract="0.38191674"/>
                     <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="4.21579"
                           xFract="0.49950118"
                           y3="2.10106"
                           yFract="0.24894076"
                           z3="6.37181"
                           zFract="0.28676013"/>
                     <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="6.29321"
                           xFract="0.745641"
                           y3="-0.01257"
                           yFract="-0.00148934"
                           z3="6.30619"
                           zFract="0.28380693"/>
                     <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="4.16714"
                           xFract="0.49373697"
                           y3="-0.1420"
                           yFract="-0.01682464"
                           z3="4.24903"
                           zFract="0.19122547"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24514"
                           xFract="0.50297867"
                           y3="0.06706"
                           yFract="0.0079455"
                           z3="8.47799"
                           zFract="0.3815477"/>
                     <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="6.26131"
                           xFract="0.74186137"
                           y3="2.21537"
                           yFract="0.2624846"
                           z3="4.29652"
                           zFract="0.19336274"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28411"
                           xFract="0.7445628"
                           y3="2.1313"
                           yFract="0.2525237"
                           z3="8.4490"
                           zFract="0.38024302"/>
                     <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="-0.16909"
                           xFract="-0.02003436"
                           y3="6.33047"
                           yFract="0.75005569"
                           z3="6.18627"
                           zFract="0.27840999"/>
                     <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="2.16164"
                           xFract="0.25611848"
                           y3="4.33356"
                           yFract="0.51345498"
                           z3="6.33254"
                           zFract="0.2849928"/>
                     <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="-0.00198"
                           xFract="-0.0002346"
                           y3="4.30173"
                           yFract="0.50968365"
                           z3="4.24437"
                           zFract="0.19101575"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00283"
                           xFract="0.00033531"
                           y3="4.19523"
                           yFract="0.49706517"
                           z3="8.48172"
                           zFract="0.38171557"/>
                     <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="2.31516"
                           xFract="0.27430806"
                           y3="6.26096"
                           yFract="0.74181991"
                           z3="4.10444"
                           zFract="0.18471827"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17936"
                           xFract="0.25821801"
                           y3="6.31695"
                           yFract="0.74845379"
                           z3="8.57796"
                           zFract="0.3860468"/>
                     <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="4.3703"
                           xFract="0.51780806"
                           y3="6.32642"
                           yFract="0.74957583"
                           z3="6.28418"
                           zFract="0.28281638"/>
                     <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="6.26943"
                           xFract="0.74282346"
                           y3="4.23097"
                           yFract="0.50129976"
                           z3="6.34744"
                           zFract="0.28566337"/>
                     <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="4.22645"
                           xFract="0.50076422"
                           y3="4.34248"
                           yFract="0.51451185"
                           z3="4.30788"
                           zFract="0.19387399"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23753"
                           xFract="0.50207701"
                           y3="4.15415"
                           yFract="0.49219787"
                           z3="8.37259"
                           zFract="0.37680423"/>
                     <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="6.13446"
                           xFract="0.72683175"
                           y3="6.29002"
                           yFract="0.74526303"
                           z3="4.26993"
                           zFract="0.19216607"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29134"
                           xFract="0.74541943"
                           y3="6.3019"
                           yFract="0.74667062"
                           z3="8.38165"
                           zFract="0.37721197"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a64" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.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="6.34372"
                           xFract="0.75162559"
                           y3="4.20185"
                           yFract="0.49784953"
                           z3="8.40439"
                           zFract="0.37823537"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30812"
                           xFract="0.74740758"
                           y3="6.33453"
                           yFract="0.75053673"
                           z3="6.31721"
                           zFract="0.28430288"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.21447"
                           xFract="0.49934479"
                           y3="6.31188"
                           yFract="0.74785308"
                           z3="4.19766"
                           zFract="0.18891359"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.22218"
                           xFract="0.50025829"
                           y3="4.23273"
                           yFract="0.50150829"
                           z3="6.3423"
                           zFract="0.28543204"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.22017"
                           xFract="0.50002014"
                           y3="-0.01953"
                           yFract="-0.00231398"
                           z3="6.36076"
                           zFract="0.28626283"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23546"
                           xFract="0.50183175"
                           y3="2.11539"
                           yFract="0.25063863"
                           z3="8.43182"
                           zFract="0.37946985"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.32513"
                           xFract="0.74942299"
                           y3="4.25251"
                           yFract="0.5038519"
                           z3="4.20021"
                           zFract="0.18902835"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33403"
                           xFract="0.75047749"
                           y3="2.08968"
                           yFract="0.24759242"
                           z3="6.3678"
                           zFract="0.28657966"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10521"
                           xFract="0.24943246"
                           y3="4.22327"
                           yFract="0.50038744"
                           z3="8.40879"
                           zFract="0.37843339"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.1144"
                           xFract="0.25052133"
                           y3="4.26216"
                           yFract="0.50499526"
                           z3="4.25465"
                           zFract="0.1914784"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00306"
                           xFract="-0.00036256"
                           y3="6.35536"
                           yFract="0.75300474"
                           z3="4.19619"
                           zFract="0.18884743"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.08802"
                           xFract="0.24739573"
                           y3="-0.00993"
                           yFract="-0.00117654"
                           z3="4.2308"
                           zFract="0.19040504"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.08753"
                           xFract="0.24733768"
                           y3="6.34276"
                           yFract="0.75151185"
                           z3="6.34149"
                           zFract="0.28539559"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.0129"
                           xFract="-0.00152844"
                           y3="2.12565"
                           yFract="0.25185427"
                           z3="8.64563"
                           zFract="0.38909226"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.01133"
                           xFract="0.00134242"
                           y3="6.31143"
                           yFract="0.74779976"
                           z3="8.59201"
                           zFract="0.38667912"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.35538"
                           xFract="0.75300711"
                           y3="0.0186"
                           yFract="0.00220379"
                           z3="4.19831"
                           zFract="0.18894284"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.07765"
                           xFract="0.24616706"
                           y3="2.07409"
                           yFract="0.24574526"
                           z3="6.3571"
                           zFract="0.28609811"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00547"
                           xFract="-0.0006481"
                           y3="-0.01331"
                           yFract="-0.00157701"
                           z3="6.41589"
                           zFract="0.28874392"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22039"
                           xFract="0.50004621"
                           y3="6.33296"
                           yFract="0.75035071"
                           z3="8.46571"
                           zFract="0.38099505"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.01535"
                           xFract="-0.00181872"
                           y3="4.22248"
                           yFract="0.50029384"
                           z3="6.39946"
                           zFract="0.2880045"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.22235"
                           xFract="0.50027844"
                           y3="2.07996"
                           yFract="0.24644076"
                           z3="4.21128"
                           zFract="0.18952655"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34738"
                           xFract="0.75205924"
                           y3="0.0070"
                           yFract="0.00082938"
                           z3="8.48371"
                           zFract="0.38180513"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01794"
                           xFract="-0.00212559"
                           y3="2.09045"
                           yFract="0.24768365"
                           z3="4.18674"
                           zFract="0.18842214"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10001"
                           xFract="0.24881635"
                           y3="-0.00355"
                           yFract="-0.00042062"
                           z3="8.5151"
                           zFract="0.38321782"/>
                     <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="-0.01023"
                           xFract="-0.00121209"
                           y3="2.10456"
                           yFract="0.24935545"
                           z3="6.20656"
                           zFract="0.27932313"/>
                     <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="2.14411"
                           xFract="0.25404147"
                           y3="-0.10869"
                           yFract="-0.01287796"
                           z3="6.35013"
                           zFract="0.28578443"/>
                     <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="0.05609"
                           xFract="0.00664573"
                           y3="-0.06388"
                           yFract="-0.00756872"
                           z3="4.23847"
                           zFract="0.19075023"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01288"
                           xFract="-0.00152607"
                           y3="0.0279"
                           yFract="0.00330569"
                           z3="8.5398"
                           zFract="0.38432943"/>
                     <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="2.16848"
                           xFract="0.25692891"
                           y3="2.22783"
                           yFract="0.2639609"
                           z3="4.20282"
                           zFract="0.18914581"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.15658"
                           xFract="0.25551896"
                           y3="2.12339"
                           yFract="0.25158649"
                           z3="8.48264"
                           zFract="0.38175698"/>
                     <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="4.21117"
                           xFract="0.49895379"
                           y3="2.09801"
                           yFract="0.24857938"
                           z3="6.36875"
                           zFract="0.28662241"/>
                     <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="6.29391"
                           xFract="0.74572393"
                           y3="-0.00651"
                           yFract="-0.00077133"
                           z3="6.30419"
                           zFract="0.28371692"/>
                     <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="4.1627"
                           xFract="0.4932109"
                           y3="-0.15105"
                           yFract="-0.01789692"
                           z3="4.25105"
                           zFract="0.19131638"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24683"
                           xFract="0.50317891"
                           y3="0.06886"
                           yFract="0.00815877"
                           z3="8.47996"
                           zFract="0.38163636"/>
                     <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="6.26199"
                           xFract="0.74194194"
                           y3="2.20921"
                           yFract="0.26175474"
                           z3="4.29299"
                           zFract="0.19320387"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28871"
                           xFract="0.74510782"
                           y3="2.13135"
                           yFract="0.25252962"
                           z3="8.44977"
                           zFract="0.38027768"/>
                     <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="-0.1657"
                           xFract="-0.0196327"
                           y3="6.33234"
                           yFract="0.75027725"
                           z3="6.18954"
                           zFract="0.27855716"/>
                     <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="2.15346"
                           xFract="0.25514929"
                           y3="4.33981"
                           yFract="0.5141955"
                           z3="6.33482"
                           zFract="0.28509541"/>
                     <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="-0.00172"
                           xFract="-0.00020379"
                           y3="4.30516"
                           yFract="0.51009005"
                           z3="4.2382"
                           zFract="0.19073807"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00373"
                           xFract="0.00044194"
                           y3="4.19752"
                           yFract="0.49733649"
                           z3="8.48683"
                           zFract="0.38194554"/>
                     <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="2.3110"
                           xFract="0.27381517"
                           y3="6.26903"
                           yFract="0.74277607"
                           z3="4.10913"
                           zFract="0.18492934"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17556"
                           xFract="0.25776777"
                           y3="6.31838"
                           yFract="0.74862322"
                           z3="8.58849"
                           zFract="0.3865207"/>
                     <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="4.36377"
                           xFract="0.51703436"
                           y3="6.32874"
                           yFract="0.74985071"
                           z3="6.30018"
                           zFract="0.28353645"/>
                     <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="6.27089"
                           xFract="0.74299645"
                           y3="4.22693"
                           yFract="0.50082109"
                           z3="6.34694"
                           zFract="0.28564086"/>
                     <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="4.22559"
                           xFract="0.50066232"
                           y3="4.35428"
                           yFract="0.51590995"
                           z3="4.30224"
                           zFract="0.19362016"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23572"
                           xFract="0.50186256"
                           y3="4.15118"
                           yFract="0.49184597"
                           z3="8.37705"
                           zFract="0.37700495"/>
                     <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="6.13911"
                           xFract="0.7273827"
                           y3="6.30004"
                           yFract="0.74645024"
                           z3="4.2629"
                           zFract="0.19184968"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29897"
                           xFract="0.74632346"
                           y3="6.30313"
                           yFract="0.74681635"
                           z3="8.38449"
                           zFract="0.37733978"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.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="6.34374"
                           xFract="0.75162796"
                           y3="4.20252"
                           yFract="0.49792891"
                           z3="8.40476"
                           zFract="0.37825203"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30748"
                           xFract="0.74733175"
                           y3="6.33406"
                           yFract="0.75048104"
                           z3="6.31879"
                           zFract="0.28437399"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2102"
                           xFract="0.49883886"
                           y3="6.30906"
                           yFract="0.74751896"
                           z3="4.19619"
                           zFract="0.18884743"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.22357"
                           xFract="0.50042299"
                           y3="4.23156"
                           yFract="0.50136967"
                           z3="6.34358"
                           zFract="0.28548965"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.21895"
                           xFract="0.49987559"
                           y3="-0.01925"
                           yFract="-0.00228081"
                           z3="6.36027"
                           zFract="0.28624077"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23676"
                           xFract="0.50198578"
                           y3="2.11542"
                           yFract="0.25064218"
                           z3="8.43035"
                           zFract="0.37940369"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.32602"
                           xFract="0.74952844"
                           y3="4.25174"
                           yFract="0.50376066"
                           z3="4.2006"
                           zFract="0.1890459"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33459"
                           xFract="0.75054384"
                           y3="2.09135"
                           yFract="0.24779028"
                           z3="6.36908"
                           zFract="0.28663726"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10571"
                           xFract="0.24949171"
                           y3="4.22499"
                           yFract="0.50059123"
                           z3="8.41125"
                           zFract="0.3785441"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.11293"
                           xFract="0.25034716"
                           y3="4.26111"
                           yFract="0.50487085"
                           z3="4.25414"
                           zFract="0.19145545"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00272"
                           xFract="-0.00032227"
                           y3="6.35528"
                           yFract="0.75299526"
                           z3="4.19727"
                           zFract="0.18889604"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.08765"
                           xFract="0.2473519"
                           y3="-0.01078"
                           yFract="-0.00127725"
                           z3="4.23312"
                           zFract="0.19050945"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.08464"
                           xFract="0.24699526"
                           y3="6.34262"
                           yFract="0.75149526"
                           z3="6.3428"
                           zFract="0.28545455"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01246"
                           xFract="-0.0014763"
                           y3="2.12506"
                           yFract="0.25178436"
                           z3="8.64529"
                           zFract="0.38907696"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.01239"
                           xFract="0.00146801"
                           y3="6.3118"
                           yFract="0.7478436"
                           z3="8.59386"
                           zFract="0.38676238"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.35714"
                           xFract="0.75321564"
                           y3="0.01956"
                           yFract="0.00231754"
                           z3="4.19908"
                           zFract="0.1889775"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.07586"
                           xFract="0.24595498"
                           y3="2.07323"
                           yFract="0.24564336"
                           z3="6.35841"
                           zFract="0.28615707"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00496"
                           xFract="-0.00058768"
                           y3="-0.01392"
                           yFract="-0.00164929"
                           z3="6.41905"
                           zFract="0.28888614"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22074"
                           xFract="0.50008768"
                           y3="6.33346"
                           yFract="0.75040995"
                           z3="8.46674"
                           zFract="0.3810414"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.01459"
                           xFract="-0.00172867"
                           y3="4.22301"
                           yFract="0.50035664"
                           z3="6.39981"
                           zFract="0.28802025"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2230"
                           xFract="0.50035545"
                           y3="2.07971"
                           yFract="0.24641114"
                           z3="4.21071"
                           zFract="0.1895009"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34797"
                           xFract="0.75212915"
                           y3="0.00608"
                           yFract="0.00072038"
                           z3="8.48415"
                           zFract="0.38182493"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01861"
                           xFract="-0.00220498"
                           y3="2.08998"
                           yFract="0.24762796"
                           z3="4.18592"
                           zFract="0.18838524"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10028"
                           xFract="0.24884834"
                           y3="-0.0055"
                           yFract="-0.00065166"
                           z3="8.51692"
                           zFract="0.38329973"/>
                     <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="-0.00944"
                           xFract="-0.00111848"
                           y3="2.10426"
                           yFract="0.24931991"
                           z3="6.20843"
                           zFract="0.27940729"/>
                     <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="2.14177"
                           xFract="0.25376422"
                           y3="-0.1112"
                           yFract="-0.01317536"
                           z3="6.35308"
                           zFract="0.28591719"/>
                     <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="0.05831"
                           xFract="0.00690877"
                           y3="-0.06236"
                           yFract="-0.00738863"
                           z3="4.23797"
                           zFract="0.19072772"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01323"
                           xFract="-0.00156754"
                           y3="0.02734"
                           yFract="0.00323934"
                           z3="8.54313"
                           zFract="0.3844793"/>
                     <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="2.16695"
                           xFract="0.25674763"
                           y3="2.22672"
                           yFract="0.26382938"
                           z3="4.20344"
                           zFract="0.18917372"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.15399"
                           xFract="0.25521209"
                           y3="2.1233"
                           yFract="0.25157583"
                           z3="8.48108"
                           zFract="0.38168677"/>
                     <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="4.20914"
                           xFract="0.49871327"
                           y3="2.09667"
                           yFract="0.24842062"
                           z3="6.36741"
                           zFract="0.28656211"/>
                     <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="6.29422"
                           xFract="0.74576066"
                           y3="-0.00385"
                           yFract="-0.00045616"
                           z3="6.30332"
                           zFract="0.28367777"/>
                     <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="4.16075"
                           xFract="0.49297986"
                           y3="-0.15502"
                           yFract="-0.0183673"
                           z3="4.25194"
                           zFract="0.19135644"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24757"
                           xFract="0.50326659"
                           y3="0.06965"
                           yFract="0.00825237"
                           z3="8.48082"
                           zFract="0.38167507"/>
                     <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="6.26228"
                           xFract="0.7419763"
                           y3="2.2065"
                           yFract="0.26143365"
                           z3="4.29144"
                           zFract="0.19313411"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29073"
                           xFract="0.74534716"
                           y3="2.13137"
                           yFract="0.25253199"
                           z3="8.45011"
                           zFract="0.38029298"/>
                     <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="-0.16421"
                           xFract="-0.01945616"
                           y3="6.33316"
                           yFract="0.75037441"
                           z3="6.19098"
                           zFract="0.27862196"/>
                     <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="2.14987"
                           xFract="0.25472393"
                           y3="4.34255"
                           yFract="0.51452014"
                           z3="6.33583"
                           zFract="0.28514086"/>
                     <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="-0.00161"
                           xFract="-0.00019076"
                           y3="4.30667"
                           yFract="0.51026896"
                           z3="4.23549"
                           zFract="0.19061611"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00412"
                           xFract="0.00048815"
                           y3="4.19852"
                           yFract="0.49745498"
                           z3="8.48907"
                           zFract="0.38204635"/>
                     <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="2.30918"
                           xFract="0.27359953"
                           y3="6.27258"
                           yFract="0.74319668"
                           z3="4.1112"
                           zFract="0.1850225"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17389"
                           xFract="0.25756991"
                           y3="6.31901"
                           yFract="0.74869787"
                           z3="8.59312"
                           zFract="0.38672907"/>
                     <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="4.36091"
                           xFract="0.5166955"
                           y3="6.32976"
                           yFract="0.74997156"
                           z3="6.30721"
                           zFract="0.28385284"/>
                     <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="6.27153"
                           xFract="0.74307227"
                           y3="4.22516"
                           yFract="0.50061137"
                           z3="6.34672"
                           zFract="0.28563096"/>
                     <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="4.22521"
                           xFract="0.5006173"
                           y3="4.35946"
                           yFract="0.5165237"
                           z3="4.29976"
                           zFract="0.19350855"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23492"
                           xFract="0.50176777"
                           y3="4.14988"
                           yFract="0.49169194"
                           z3="8.37902"
                           zFract="0.37709361"/>
                     <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="6.14115"
                           xFract="0.72762441"
                           y3="6.30444"
                           yFract="0.74697156"
                           z3="4.25981"
                           zFract="0.19171062"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.30232"
                           xFract="0.74672038"
                           y3="6.30368"
                           yFract="0.74688152"
                           z3="8.38574"
                           zFract="0.37739604"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.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="6.34443"
                           xFract="0.75170972"
                           y3="4.2025"
                           yFract="0.49792654"
                           z3="8.40595"
                           zFract="0.37830558"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30654"
                           xFract="0.74722038"
                           y3="6.3349"
                           yFract="0.75058057"
                           z3="6.3179"
                           zFract="0.28433393"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.21864"
                           xFract="0.49983886"
                           y3="6.31342"
                           yFract="0.74803555"
                           z3="4.20038"
                           zFract="0.189036"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2231"
                           xFract="0.5003673"
                           y3="4.23142"
                           yFract="0.50135308"
                           z3="6.34464"
                           zFract="0.28553735"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.22011"
                           xFract="0.50001303"
                           y3="-0.0186"
                           yFract="-0.00220379"
                           z3="6.36069"
                           zFract="0.28625968"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23675"
                           xFract="0.5019846"
                           y3="2.11623"
                           yFract="0.25073815"
                           z3="8.43206"
                           zFract="0.37948065"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.32767"
                           xFract="0.74972393"
                           y3="4.25189"
                           yFract="0.50377844"
                           z3="4.20145"
                           zFract="0.18908416"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33578"
                           xFract="0.75068483"
                           y3="2.09407"
                           yFract="0.24811256"
                           z3="6.36904"
                           zFract="0.28663546"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10662"
                           xFract="0.24959953"
                           y3="4.22702"
                           yFract="0.50083175"
                           z3="8.41626"
                           zFract="0.37876958"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10934"
                           xFract="0.2499218"
                           y3="4.25876"
                           yFract="0.50459242"
                           z3="4.25188"
                           zFract="0.19135374"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00251"
                           xFract="-0.00029739"
                           y3="6.35616"
                           yFract="0.75309953"
                           z3="4.19459"
                           zFract="0.18877543"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.08877"
                           xFract="0.2474846"
                           y3="-0.01045"
                           yFract="-0.00123815"
                           z3="4.23519"
                           zFract="0.19060261"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.07907"
                           xFract="0.24633531"
                           y3="6.34214"
                           yFract="0.75143839"
                           z3="6.34855"
                           zFract="0.28571332"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01155"
                           xFract="-0.00136848"
                           y3="2.12556"
                           yFract="0.2518436"
                           z3="8.64535"
                           zFract="0.38907966"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.01481"
                           xFract="0.00175474"
                           y3="6.31235"
                           yFract="0.74790877"
                           z3="8.60089"
                           zFract="0.38707876"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.35877"
                           xFract="0.75340877"
                           y3="0.02018"
                           yFract="0.002391"
                           z3="4.19972"
                           zFract="0.1890063"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.07264"
                           xFract="0.24557346"
                           y3="2.07222"
                           yFract="0.2455237"
                           z3="6.36159"
                           zFract="0.28630018"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00709"
                           xFract="-0.00084005"
                           y3="-0.01315"
                           yFract="-0.00155806"
                           z3="6.42705"
                           zFract="0.28924617"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22081"
                           xFract="0.50009597"
                           y3="6.33361"
                           yFract="0.75042773"
                           z3="8.47103"
                           zFract="0.38123447"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.01475"
                           xFract="-0.00174763"
                           y3="4.22291"
                           yFract="0.50034479"
                           z3="6.4014"
                           zFract="0.28809181"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.22212"
                           xFract="0.50025118"
                           y3="2.07891"
                           yFract="0.24631635"
                           z3="4.21104"
                           zFract="0.18951575"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34855"
                           xFract="0.75219787"
                           y3="0.00604"
                           yFract="0.00071564"
                           z3="8.48569"
                           zFract="0.38189424"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01838"
                           xFract="-0.00217773"
                           y3="2.09042"
                           yFract="0.24768009"
                           z3="4.1828"
                           zFract="0.18824482"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10156"
                           xFract="0.2490"
                           y3="-0.00789"
                           yFract="-0.00093483"
                           z3="8.52398"
                           zFract="0.38361746"/>
                     <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="-0.00786"
                           xFract="-0.00093128"
                           y3="2.10455"
                           yFract="0.24935427"
                           z3="6.21427"
                           zFract="0.27967012"/>
                     <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="2.1364"
                           xFract="0.25312796"
                           y3="-0.11355"
                           yFract="-0.01345379"
                           z3="6.36292"
                           zFract="0.28636004"/>
                     <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="0.06437"
                           xFract="0.00762678"
                           y3="-0.06097"
                           yFract="-0.00722393"
                           z3="4.23865"
                           zFract="0.19075833"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01385"
                           xFract="-0.001641"
                           y3="0.02595"
                           yFract="0.00307464"
                           z3="8.55002"
                           zFract="0.38478938"/>
                     <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="2.16932"
                           xFract="0.25702844"
                           y3="2.22642"
                           yFract="0.26379384"
                           z3="4.20731"
                           zFract="0.18934788"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14885"
                           xFract="0.25460308"
                           y3="2.1224"
                           yFract="0.25146919"
                           z3="8.47708"
                           zFract="0.38150675"/>
                     <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="4.20449"
                           xFract="0.49816232"
                           y3="2.09581"
                           yFract="0.24831872"
                           z3="6.35958"
                           zFract="0.28620972"/>
                     <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="6.29408"
                           xFract="0.74574408"
                           y3="-0.00189"
                           yFract="-0.00022393"
                           z3="6.30417"
                           zFract="0.28371602"/>
                     <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="4.15337"
                           xFract="0.49210545"
                           y3="-0.15903"
                           yFract="-0.01884242"
                           z3="4.25516"
                           zFract="0.19150135"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24958"
                           xFract="0.50350474"
                           y3="0.06931"
                           yFract="0.00821209"
                           z3="8.48125"
                           zFract="0.38169442"/>
                     <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="6.25773"
                           xFract="0.7414372"
                           y3="2.20427"
                           yFract="0.26116943"
                           z3="4.29053"
                           zFract="0.19309316"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29617"
                           xFract="0.74599171"
                           y3="2.1317"
                           yFract="0.25257109"
                           z3="8.45154"
                           zFract="0.38035734"/>
                     <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="-0.16303"
                           xFract="-0.01931635"
                           y3="6.33526"
                           yFract="0.75062322"
                           z3="6.1955"
                           zFract="0.27882538"/>
                     <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="2.1447"
                           xFract="0.25411137"
                           y3="4.34369"
                           yFract="0.51465521"
                           z3="6.34097"
                           zFract="0.28537219"/>
                     <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="-0.00288"
                           xFract="-0.00034123"
                           y3="4.30853"
                           yFract="0.51048934"
                           z3="4.23369"
                           zFract="0.1905351"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0046"
                           xFract="0.00054502"
                           y3="4.1997"
                           yFract="0.49759479"
                           z3="8.49388"
                           zFract="0.38226283"/>
                     <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="2.30066"
                           xFract="0.27259005"
                           y3="6.27271"
                           yFract="0.74321209"
                           z3="4.11089"
                           zFract="0.18500855"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17151"
                           xFract="0.25728791"
                           y3="6.31977"
                           yFract="0.74878791"
                           z3="8.60587"
                           zFract="0.38730288"/>
                     <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="4.35858"
                           xFract="0.51641943"
                           y3="6.32924"
                           yFract="0.74990995"
                           z3="6.31586"
                           zFract="0.28424212"/>
                     <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="6.27275"
                           xFract="0.74321682"
                           y3="4.22443"
                           yFract="0.50052488"
                           z3="6.3457"
                           zFract="0.28558506"/>
                     <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="4.22459"
                           xFract="0.50054384"
                           y3="4.36159"
                           yFract="0.51677607"
                           z3="4.29685"
                           zFract="0.19337759"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23419"
                           xFract="0.50168128"
                           y3="4.14866"
                           yFract="0.49154739"
                           z3="8.38482"
                           zFract="0.37735464"/>
                     <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="6.13362"
                           xFract="0.72673223"
                           y3="6.31022"
                           yFract="0.7476564"
                           z3="4.26078"
                           zFract="0.19175428"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3088"
                           xFract="0.74748815"
                           y3="6.3041"
                           yFract="0.74693128"
                           z3="8.38903"
                           zFract="0.3775441"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.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="6.34449"
                           xFract="0.75171682"
                           y3="4.2025"
                           yFract="0.49792654"
                           z3="8.40606"
                           zFract="0.37831053"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30646"
                           xFract="0.7472109"
                           y3="6.33497"
                           yFract="0.75058886"
                           z3="6.31782"
                           zFract="0.28433033"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.21937"
                           xFract="0.49992536"
                           y3="6.31379"
                           yFract="0.74807938"
                           z3="4.20074"
                           zFract="0.18905221"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.22306"
                           xFract="0.50036256"
                           y3="4.23141"
                           yFract="0.5013519"
                           z3="6.34473"
                           zFract="0.2855414"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.22021"
                           xFract="0.50002488"
                           y3="-0.01855"
                           yFract="-0.00219787"
                           z3="6.36073"
                           zFract="0.28626148"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23675"
                           xFract="0.5019846"
                           y3="2.11629"
                           yFract="0.25074526"
                           z3="8.43221"
                           zFract="0.3794874"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.32781"
                           xFract="0.74974052"
                           y3="4.25191"
                           yFract="0.50378081"
                           z3="4.20153"
                           zFract="0.18908776"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33588"
                           xFract="0.75069668"
                           y3="2.09431"
                           yFract="0.248141"
                           z3="6.36904"
                           zFract="0.28663546"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1067"
                           xFract="0.249609"
                           y3="4.22719"
                           yFract="0.5008519"
                           z3="8.41669"
                           zFract="0.37878893"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10904"
                           xFract="0.24988626"
                           y3="4.25856"
                           yFract="0.50456872"
                           z3="4.25168"
                           zFract="0.19134473"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00249"
                           xFract="-0.00029502"
                           y3="6.35624"
                           yFract="0.753109"
                           z3="4.19436"
                           zFract="0.18876508"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.08886"
                           xFract="0.24749526"
                           y3="-0.01042"
                           yFract="-0.0012346"
                           z3="4.23537"
                           zFract="0.19061071"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.0786"
                           xFract="0.24627962"
                           y3="6.3421"
                           yFract="0.75143365"
                           z3="6.34904"
                           zFract="0.28573537"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01148"
                           xFract="-0.00136019"
                           y3="2.12561"
                           yFract="0.25184953"
                           z3="8.64535"
                           zFract="0.38907966"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.01502"
                           xFract="0.00177962"
                           y3="6.31239"
                           yFract="0.74791351"
                           z3="8.60149"
                           zFract="0.38710576"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.35891"
                           xFract="0.75342536"
                           y3="0.02023"
                           yFract="0.00239692"
                           z3="4.19978"
                           zFract="0.189009"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.07236"
                           xFract="0.24554028"
                           y3="2.07213"
                           yFract="0.24551303"
                           z3="6.36186"
                           zFract="0.28631233"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00728"
                           xFract="-0.00086256"
                           y3="-0.01308"
                           yFract="-0.00154976"
                           z3="6.42773"
                           zFract="0.28927678"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22081"
                           xFract="0.50009597"
                           y3="6.33362"
                           yFract="0.75042891"
                           z3="8.4714"
                           zFract="0.38125113"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.01477"
                           xFract="-0.00175"
                           y3="4.22291"
                           yFract="0.50034479"
                           z3="6.40154"
                           zFract="0.28809811"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.22204"
                           xFract="0.50024171"
                           y3="2.07884"
                           yFract="0.24630806"
                           z3="4.21107"
                           zFract="0.1895171"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3486"
                           xFract="0.75220379"
                           y3="0.00604"
                           yFract="0.00071564"
                           z3="8.48582"
                           zFract="0.38190009"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01836"
                           xFract="-0.00217536"
                           y3="2.09046"
                           yFract="0.24768483"
                           z3="4.18253"
                           zFract="0.18823267"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10167"
                           xFract="0.24901303"
                           y3="-0.0081"
                           yFract="-0.00095972"
                           z3="8.52458"
                           zFract="0.38364446"/>
                     <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="-0.00772"
                           xFract="-0.00091469"
                           y3="2.10458"
                           yFract="0.24935782"
                           z3="6.21477"
                           zFract="0.27969262"/>
                     <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="2.13594"
                           xFract="0.25307346"
                           y3="-0.11376"
                           yFract="-0.01347867"
                           z3="6.36376"
                           zFract="0.28639784"/>
                     <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="0.06489"
                           xFract="0.00768839"
                           y3="-0.06086"
                           yFract="-0.0072109"
                           z3="4.2387"
                           zFract="0.19076058"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01391"
                           xFract="-0.0016481"
                           y3="0.02583"
                           yFract="0.00306043"
                           z3="8.55062"
                           zFract="0.38481638"/>
                     <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="2.16952"
                           xFract="0.25705213"
                           y3="2.22639"
                           yFract="0.26379028"
                           z3="4.20765"
                           zFract="0.18936319"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14841"
                           xFract="0.25455095"
                           y3="2.12233"
                           yFract="0.2514609"
                           z3="8.47673"
                           zFract="0.381491"/>
                     <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="4.20409"
                           xFract="0.49811493"
                           y3="2.09574"
                           yFract="0.24831043"
                           z3="6.35891"
                           zFract="0.28617957"/>
                     <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="6.29406"
                           xFract="0.74574171"
                           y3="-0.00172"
                           yFract="-0.00020379"
                           z3="6.30425"
                           zFract="0.28371962"/>
                     <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="4.15274"
                           xFract="0.49203081"
                           y3="-0.15937"
                           yFract="-0.0188827"
                           z3="4.25544"
                           zFract="0.19151395"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24976"
                           xFract="0.50352607"
                           y3="0.06929"
                           yFract="0.00820972"
                           z3="8.48129"
                           zFract="0.38169622"/>
                     <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="6.25734"
                           xFract="0.741391"
                           y3="2.20408"
                           yFract="0.26114692"
                           z3="4.29045"
                           zFract="0.19308956"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29663"
                           xFract="0.74604621"
                           y3="2.13173"
                           yFract="0.25257464"
                           z3="8.45166"
                           zFract="0.38036274"/>
                     <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="-0.16293"
                           xFract="-0.0193045"
                           y3="6.33544"
                           yFract="0.75064455"
                           z3="6.19588"
                           zFract="0.27884248"/>
                     <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="2.14426"
                           xFract="0.25405924"
                           y3="4.34378"
                           yFract="0.51466588"
                           z3="6.34142"
                           zFract="0.28539244"/>
                     <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="-0.00299"
                           xFract="-0.00035427"
                           y3="4.30869"
                           yFract="0.51050829"
                           z3="4.23353"
                           zFract="0.1905279"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00464"
                           xFract="0.00054976"
                           y3="4.1998"
                           yFract="0.49760664"
                           z3="8.49429"
                           zFract="0.38228128"/>
                     <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="2.29993"
                           xFract="0.27250355"
                           y3="6.27272"
                           yFract="0.74321327"
                           z3="4.11086"
                           zFract="0.1850072"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17131"
                           xFract="0.25726422"
                           y3="6.31983"
                           yFract="0.74879502"
                           z3="8.60697"
                           zFract="0.38735239"/>
                     <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="4.35839"
                           xFract="0.51639692"
                           y3="6.3292"
                           yFract="0.74990521"
                           z3="6.3166"
                           zFract="0.28427543"/>
                     <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="6.27286"
                           xFract="0.74322986"
                           y3="4.22437"
                           yFract="0.50051777"
                           z3="6.34561"
                           zFract="0.28558101"/>
                     <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="4.22454"
                           xFract="0.50053791"
                           y3="4.36177"
                           yFract="0.51679739"
                           z3="4.29661"
                           zFract="0.19336679"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23412"
                           xFract="0.50167299"
                           y3="4.14856"
                           yFract="0.49153555"
                           z3="8.38532"
                           zFract="0.37737714"/>
                     <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="6.13298"
                           xFract="0.7266564"
                           y3="6.31071"
                           yFract="0.74771445"
                           z3="4.26086"
                           zFract="0.19175788"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.30935"
                           xFract="0.74755332"
                           y3="6.30413"
                           yFract="0.74693483"
                           z3="8.38931"
                           zFract="0.37755671"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.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="6.34603"
                           xFract="0.75189929"
                           y3="4.20228"
                           yFract="0.49790047"
                           z3="8.40773"
                           zFract="0.37838569"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30748"
                           xFract="0.74733175"
                           y3="6.33722"
                           yFract="0.75085545"
                           z3="6.32011"
                           zFract="0.28443339"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.20879"
                           xFract="0.4986718"
                           y3="6.31745"
                           yFract="0.74851303"
                           z3="4.20672"
                           zFract="0.18932133"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21864"
                           xFract="0.49983886"
                           y3="4.23288"
                           yFract="0.50152607"
                           z3="6.34457"
                           zFract="0.2855342"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2204"
                           xFract="0.50004739"
                           y3="-0.01792"
                           yFract="-0.00212322"
                           z3="6.36333"
                           zFract="0.28637849"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23522"
                           xFract="0.50180332"
                           y3="2.11674"
                           yFract="0.25079858"
                           z3="8.43349"
                           zFract="0.379545"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.32712"
                           xFract="0.74965877"
                           y3="4.25319"
                           yFract="0.50393246"
                           z3="4.2019"
                           zFract="0.18910441"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33574"
                           xFract="0.75068009"
                           y3="2.09541"
                           yFract="0.24827133"
                           z3="6.3682"
                           zFract="0.28659766"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10682"
                           xFract="0.24962322"
                           y3="4.22729"
                           yFract="0.50086374"
                           z3="8.42166"
                           zFract="0.3790126"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10804"
                           xFract="0.24976777"
                           y3="4.2602"
                           yFract="0.50476303"
                           z3="4.25219"
                           zFract="0.19136769"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00223"
                           xFract="-0.00026422"
                           y3="6.35927"
                           yFract="0.75346801"
                           z3="4.19332"
                           zFract="0.18871827"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.09089"
                           xFract="0.24773578"
                           y3="-0.0103"
                           yFract="-0.00122038"
                           z3="4.2379"
                           zFract="0.19072457"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.07406"
                           xFract="0.24574171"
                           y3="6.34156"
                           yFract="0.75136967"
                           z3="6.35583"
                           zFract="0.28604095"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01056"
                           xFract="-0.00125118"
                           y3="2.12702"
                           yFract="0.25201659"
                           z3="8.64682"
                           zFract="0.38914581"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.01689"
                           xFract="0.00200118"
                           y3="6.31236"
                           yFract="0.74790995"
                           z3="8.61094"
                           zFract="0.38753105"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.36015"
                           xFract="0.75357227"
                           y3="0.02126"
                           yFract="0.00251896"
                           z3="4.19986"
                           zFract="0.1890126"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.0708"
                           xFract="0.24535545"
                           y3="2.07124"
                           yFract="0.24540758"
                           z3="6.36501"
                           zFract="0.2864541"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01036"
                           xFract="-0.00122749"
                           y3="-0.01134"
                           yFract="-0.0013436"
                           z3="6.43532"
                           zFract="0.28961836"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22155"
                           xFract="0.50018365"
                           y3="6.33287"
                           yFract="0.75034005"
                           z3="8.47688"
                           zFract="0.38149775"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.01551"
                           xFract="-0.00183768"
                           y3="4.22312"
                           yFract="0.50036967"
                           z3="6.40516"
                           zFract="0.28826103"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21953"
                           xFract="0.49994431"
                           y3="2.07875"
                           yFract="0.24629739"
                           z3="4.21219"
                           zFract="0.18956751"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34864"
                           xFract="0.75220853"
                           y3="0.00714"
                           yFract="0.00084597"
                           z3="8.48876"
                           zFract="0.3820324"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01761"
                           xFract="-0.00208649"
                           y3="2.09062"
                           yFract="0.24770379"
                           z3="4.18382"
                           zFract="0.18829073"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10328"
                           xFract="0.24920379"
                           y3="-0.00873"
                           yFract="-0.00103436"
                           z3="8.53307"
                           zFract="0.38402655"/>
                     <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="-0.00884"
                           xFract="-0.00104739"
                           y3="2.10536"
                           yFract="0.24945024"
                           z3="6.21594"
                           zFract="0.27974527"/>
                     <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="2.13261"
                           xFract="0.25267891"
                           y3="-0.11515"
                           yFract="-0.01364336"
                           z3="6.37448"
                           zFract="0.28688029"/>
                     <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="0.0712"
                           xFract="0.00843602"
                           y3="-0.05991"
                           yFract="-0.00709834"
                           z3="4.24069"
                           zFract="0.19085014"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01468"
                           xFract="-0.00173934"
                           y3="0.02487"
                           yFract="0.00294668"
                           z3="8.55821"
                           zFract="0.38515797"/>
                     <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="2.17215"
                           xFract="0.25736374"
                           y3="2.22667"
                           yFract="0.26382346"
                           z3="4.21032"
                           zFract="0.18948335"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14473"
                           xFract="0.25411493"
                           y3="2.12121"
                           yFract="0.2513282"
                           z3="8.47566"
                           zFract="0.38144284"/>
                     <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="4.20202"
                           xFract="0.49786967"
                           y3="2.09677"
                           yFract="0.24843246"
                           z3="6.35439"
                           zFract="0.28597615"/>
                     <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="6.29377"
                           xFract="0.74570735"
                           y3="-0.00217"
                           yFract="-0.00025711"
                           z3="6.30585"
                           zFract="0.28379163"/>
                     <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="4.14477"
                           xFract="0.49108649"
                           y3="-0.15728"
                           yFract="-0.01863507"
                           z3="4.25948"
                           zFract="0.19169577"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.25217"
                           xFract="0.50381161"
                           y3="0.0686"
                           yFract="0.00812796"
                           z3="8.48139"
                           zFract="0.38170072"/>
                     <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="6.25408"
                           xFract="0.74100474"
                           y3="2.20417"
                           yFract="0.26115758"
                           z3="4.29144"
                           zFract="0.19313411"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30091"
                           xFract="0.74655332"
                           y3="2.13286"
                           yFract="0.25270853"
                           z3="8.45276"
                           zFract="0.38041224"/>
                     <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="-0.16387"
                           xFract="-0.01941588"
                           y3="6.33667"
                           yFract="0.75079028"
                           z3="6.19702"
                           zFract="0.27889379"/>
                     <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="2.14182"
                           xFract="0.25377014"
                           y3="4.34332"
                           yFract="0.51461137"
                           z3="6.34597"
                           zFract="0.28559721"/>
                     <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="-0.00633"
                           xFract="-0.00075"
                           y3="4.30796"
                           yFract="0.5104218"
                           z3="4.23491"
                           zFract="0.19059001"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00439"
                           xFract="0.00052014"
                           y3="4.2007"
                           yFract="0.49771327"
                           z3="8.49871"
                           zFract="0.3824802"/>
                     <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="2.30012"
                           xFract="0.27252607"
                           y3="6.26846"
                           yFract="0.74270853"
                           z3="4.10846"
                           zFract="0.18489919"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17067"
                           xFract="0.25718839"
                           y3="6.31946"
                           yFract="0.74875118"
                           z3="8.62234"
                           zFract="0.3880441"/>
                     <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="4.35819"
                           xFract="0.51637322"
                           y3="6.3269"
                           yFract="0.7496327"
                           z3="6.32114"
                           zFract="0.28447975"/>
                     <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="6.27383"
                           xFract="0.74334479"
                           y3="4.22607"
                           yFract="0.50071919"
                           z3="6.34467"
                           zFract="0.2855387"/>
                     <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="4.22573"
                           xFract="0.50067891"
                           y3="4.36065"
                           yFract="0.51666469"
                           z3="4.29624"
                           zFract="0.19335014"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23457"
                           xFract="0.5017263"
                           y3="4.14873"
                           yFract="0.49155569"
                           z3="8.39093"
                           zFract="0.37762961"/>
                     <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="6.12989"
                           xFract="0.72629028"
                           y3="6.3130"
                           yFract="0.74798578"
                           z3="4.26678"
                           zFract="0.1920243"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.31372"
                           xFract="0.74807109"
                           y3="6.30333"
                           yFract="0.74684005"
                           z3="8.39124"
                           zFract="0.37764356"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.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="6.34702"
                           xFract="0.75201659"
                           y3="4.20214"
                           yFract="0.49788389"
                           z3="8.40882"
                           zFract="0.37843474"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30814"
                           xFract="0.74740995"
                           y3="6.33867"
                           yFract="0.75102725"
                           z3="6.3216"
                           zFract="0.28450045"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.20193"
                           xFract="0.497859"
                           y3="6.31982"
                           yFract="0.74879384"
                           z3="4.21059"
                           zFract="0.1894955"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21577"
                           xFract="0.49949882"
                           y3="4.23383"
                           yFract="0.50163863"
                           z3="6.34447"
                           zFract="0.2855297"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.22052"
                           xFract="0.50006161"
                           y3="-0.01752"
                           yFract="-0.00207583"
                           z3="6.36501"
                           zFract="0.2864541"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23422"
                           xFract="0.50168483"
                           y3="2.11704"
                           yFract="0.25083412"
                           z3="8.43433"
                           zFract="0.37958281"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.32667"
                           xFract="0.74960545"
                           y3="4.25403"
                           yFract="0.50403199"
                           z3="4.20214"
                           zFract="0.18911521"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33565"
                           xFract="0.75066943"
                           y3="2.09613"
                           yFract="0.24835664"
                           z3="6.36766"
                           zFract="0.28657336"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1069"
                           xFract="0.2496327"
                           y3="4.22736"
                           yFract="0.50087204"
                           z3="8.42489"
                           zFract="0.37915797"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10739"
                           xFract="0.24969076"
                           y3="4.26127"
                           yFract="0.50488981"
                           z3="4.25252"
                           zFract="0.19138254"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00206"
                           xFract="-0.00024408"
                           y3="6.36124"
                           yFract="0.75370142"
                           z3="4.19264"
                           zFract="0.18868767"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.0922"
                           xFract="0.247891"
                           y3="-0.01022"
                           yFract="-0.0012109"
                           z3="4.23955"
                           zFract="0.19079883"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.07112"
                           xFract="0.24539336"
                           y3="6.3412"
                           yFract="0.75132701"
                           z3="6.36023"
                           zFract="0.28623897"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.00997"
                           xFract="-0.00118128"
                           y3="2.12794"
                           yFract="0.25212559"
                           z3="8.64777"
                           zFract="0.38918857"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.01811"
                           xFract="0.00214573"
                           y3="6.31234"
                           yFract="0.74790758"
                           z3="8.61707"
                           zFract="0.38780693"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.36095"
                           xFract="0.75366706"
                           y3="0.02192"
                           yFract="0.00259716"
                           z3="4.19991"
                           zFract="0.18901485"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.06978"
                           xFract="0.2452346"
                           y3="2.07067"
                           yFract="0.24534005"
                           z3="6.36705"
                           zFract="0.2865459"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01236"
                           xFract="-0.00146445"
                           y3="-0.01022"
                           yFract="-0.0012109"
                           z3="6.44024"
                           zFract="0.28983978"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22202"
                           xFract="0.50023934"
                           y3="6.33238"
                           yFract="0.75028199"
                           z3="8.48044"
                           zFract="0.38165797"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.0160"
                           xFract="-0.00189573"
                           y3="4.22326"
                           yFract="0.50038626"
                           z3="6.40751"
                           zFract="0.28836679"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21789"
                           xFract="0.49975"
                           y3="2.07869"
                           yFract="0.24629028"
                           z3="4.21292"
                           zFract="0.18960036"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34867"
                           xFract="0.75221209"
                           y3="0.00786"
                           yFract="0.00093128"
                           z3="8.49067"
                           zFract="0.38211836"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01713"
                           xFract="-0.00202962"
                           y3="2.09072"
                           yFract="0.24771564"
                           z3="4.18466"
                           zFract="0.18832853"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10433"
                           xFract="0.2493282"
                           y3="-0.00915"
                           yFract="-0.00108412"
                           z3="8.53857"
                           zFract="0.38427408"/>
                     <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="-0.00956"
                           xFract="-0.0011327"
                           y3="2.10586"
                           yFract="0.24950948"
                           z3="6.2167"
                           zFract="0.27977948"/>
                     <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="2.13045"
                           xFract="0.25242299"
                           y3="-0.11606"
                           yFract="-0.01375118"
                           z3="6.38143"
                           zFract="0.28719307"/>
                     <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="0.0753"
                           xFract="0.0089218"
                           y3="-0.05929"
                           yFract="-0.00702488"
                           z3="4.24198"
                           zFract="0.19090819"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01518"
                           xFract="-0.00179858"
                           y3="0.02426"
                           yFract="0.00287441"
                           z3="8.56314"
                           zFract="0.38537984"/>
                     <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="2.17386"
                           xFract="0.25756635"
                           y3="2.22686"
                           yFract="0.26384597"
                           z3="4.21206"
                           zFract="0.18956166"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14234"
                           xFract="0.25383175"
                           y3="2.12048"
                           yFract="0.25124171"
                           z3="8.47496"
                           zFract="0.38141134"/>
                     <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="4.20068"
                           xFract="0.4977109"
                           y3="2.09745"
                           yFract="0.24851303"
                           z3="6.35145"
                           zFract="0.28584383"/>
                     <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="6.29359"
                           xFract="0.74568602"
                           y3="-0.00247"
                           yFract="-0.00029265"
                           z3="6.30689"
                           zFract="0.28383843"/>
                     <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="4.1396"
                           xFract="0.49047393"
                           y3="-0.15592"
                           yFract="-0.01847393"
                           z3="4.26211"
                           zFract="0.19181413"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.25374"
                           xFract="0.50399763"
                           y3="0.06816"
                           yFract="0.00807583"
                           z3="8.48145"
                           zFract="0.38170342"/>
                     <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="6.25196"
                           xFract="0.74075355"
                           y3="2.20423"
                           yFract="0.26116469"
                           z3="4.29209"
                           zFract="0.19316337"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30369"
                           xFract="0.7468827"
                           y3="2.1336"
                           yFract="0.25279621"
                           z3="8.45347"
                           zFract="0.38044419"/>
                     <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="-0.16448"
                           xFract="-0.01948815"
                           y3="6.33748"
                           yFract="0.75088626"
                           z3="6.19777"
                           zFract="0.27892754"/>
                     <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="2.14023"
                           xFract="0.25358175"
                           y3="4.34301"
                           yFract="0.51457464"
                           z3="6.34892"
                           zFract="0.28572997"/>
                     <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="-0.0085"
                           xFract="-0.00100711"
                           y3="4.30748"
                           yFract="0.51036493"
                           z3="4.2358"
                           zFract="0.19063006"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00423"
                           xFract="0.00050118"
                           y3="4.20128"
                           yFract="0.49778199"
                           z3="8.50158"
                           zFract="0.38260936"/>
                     <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="2.30024"
                           xFract="0.27254028"
                           y3="6.2657"
                           yFract="0.74238152"
                           z3="4.1069"
                           zFract="0.18482898"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17025"
                           xFract="0.25713863"
                           y3="6.31922"
                           yFract="0.74872275"
                           z3="8.63231"
                           zFract="0.3884928"/>
                     <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="4.35806"
                           xFract="0.51635782"
                           y3="6.32542"
                           yFract="0.74945735"
                           z3="6.32409"
                           zFract="0.28461251"/>
                     <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="6.27447"
                           xFract="0.74342062"
                           y3="4.22717"
                           yFract="0.50084953"
                           z3="6.34406"
                           zFract="0.28551125"/>
                     <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="4.2265"
                           xFract="0.50077014"
                           y3="4.35992"
                           yFract="0.5165782"
                           z3="4.2960"
                           zFract="0.19333933"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23486"
                           xFract="0.50176066"
                           y3="4.14884"
                           yFract="0.49156872"
                           z3="8.39457"
                           zFract="0.37779343"/>
                     <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="6.12788"
                           xFract="0.72605213"
                           y3="6.31449"
                           yFract="0.74816232"
                           z3="4.27062"
                           zFract="0.19219712"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.31655"
                           xFract="0.7484064"
                           y3="6.30281"
                           yFract="0.74677844"
                           z3="8.39249"
                           zFract="0.37769982"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.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="6.34761"
                           xFract="0.75208649"
                           y3="4.20237"
                           yFract="0.49791114"
                           z3="8.40965"
                           zFract="0.3784721"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30801"
                           xFract="0.74739455"
                           y3="6.33862"
                           yFract="0.75102133"
                           z3="6.32486"
                           zFract="0.28464716"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.20119"
                           xFract="0.49777133"
                           y3="6.31724"
                           yFract="0.74848815"
                           z3="4.21274"
                           zFract="0.18959226"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21435"
                           xFract="0.49933057"
                           y3="4.23462"
                           yFract="0.50173223"
                           z3="6.3466"
                           zFract="0.28562556"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.21866"
                           xFract="0.49984123"
                           y3="-0.01733"
                           yFract="-0.00205332"
                           z3="6.36873"
                           zFract="0.28662151"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23435"
                           xFract="0.50170024"
                           y3="2.1178"
                           yFract="0.25092417"
                           z3="8.43365"
                           zFract="0.37955221"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.32474"
                           xFract="0.74937678"
                           y3="4.25648"
                           yFract="0.50432227"
                           z3="4.20276"
                           zFract="0.18914311"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33387"
                           xFract="0.75045853"
                           y3="2.0970"
                           yFract="0.24845972"
                           z3="6.36758"
                           zFract="0.28656976"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10681"
                           xFract="0.24962204"
                           y3="4.22707"
                           yFract="0.50083768"
                           z3="8.42975"
                           zFract="0.37937669"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10694"
                           xFract="0.24963744"
                           y3="4.26097"
                           yFract="0.50485427"
                           z3="4.2552"
                           zFract="0.19150315"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00254"
                           xFract="-0.00030095"
                           y3="6.36274"
                           yFract="0.75387915"
                           z3="4.19458"
                           zFract="0.18877498"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.09224"
                           xFract="0.24789573"
                           y3="-0.01023"
                           yFract="-0.00121209"
                           z3="4.24379"
                           zFract="0.19098965"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.0673"
                           xFract="0.24494076"
                           y3="6.3411"
                           yFract="0.75131517"
                           z3="6.36741"
                           zFract="0.28656211"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.00969"
                           xFract="-0.0011481"
                           y3="2.12864"
                           yFract="0.25220853"
                           z3="8.65031"
                           zFract="0.38930288"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.01939"
                           xFract="0.00229739"
                           y3="6.31223"
                           yFract="0.74789455"
                           z3="8.6263"
                           zFract="0.38822232"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3616"
                           xFract="0.75374408"
                           y3="0.02254"
                           yFract="0.00267062"
                           z3="4.19973"
                           zFract="0.18900675"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.0694"
                           xFract="0.24518957"
                           y3="2.06955"
                           yFract="0.24520735"
                           z3="6.36867"
                           zFract="0.28661881"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01388"
                           xFract="-0.00164455"
                           y3="-0.00922"
                           yFract="-0.00109242"
                           z3="6.44597"
                           zFract="0.29009766"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22289"
                           xFract="0.50034242"
                           y3="6.33078"
                           yFract="0.75009242"
                           z3="8.48554"
                           zFract="0.38188749"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.01727"
                           xFract="-0.00204621"
                           y3="4.2244"
                           yFract="0.50052133"
                           z3="6.4108"
                           zFract="0.28851485"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21636"
                           xFract="0.49956872"
                           y3="2.07967"
                           yFract="0.2464064"
                           z3="4.2136"
                           zFract="0.18963096"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34892"
                           xFract="0.75224171"
                           y3="0.00928"
                           yFract="0.00109953"
                           z3="8.49452"
                           zFract="0.38229163"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01642"
                           xFract="-0.0019455"
                           y3="2.09096"
                           yFract="0.24774408"
                           z3="4.18749"
                           zFract="0.1884559"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10526"
                           xFract="0.24943839"
                           y3="-0.00977"
                           yFract="-0.00115758"
                           z3="8.54569"
                           zFract="0.38459451"/>
                     <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="-0.01196"
                           xFract="-0.00141706"
                           y3="2.10629"
                           yFract="0.24956043"
                           z3="6.21557"
                           zFract="0.27972862"/>
                     <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="2.12872"
                           xFract="0.25221801"
                           y3="-0.11748"
                           yFract="-0.01391943"
                           z3="6.38974"
                           zFract="0.28756706"/>
                     <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="0.08145"
                           xFract="0.00965047"
                           y3="-0.0580"
                           yFract="-0.00687204"
                           z3="4.24426"
                           zFract="0.1910108"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01619"
                           xFract="-0.00191825"
                           y3="0.0240"
                           yFract="0.0028436"
                           z3="8.56988"
                           zFract="0.38568317"/>
                     <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="2.17298"
                           xFract="0.25746209"
                           y3="2.22829"
                           yFract="0.2640154"
                           z3="4.21259"
                           zFract="0.18958551"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14036"
                           xFract="0.25359716"
                           y3="2.11993"
                           yFract="0.25117654"
                           z3="8.47762"
                           zFract="0.38153105"/>
                     <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="4.20101"
                           xFract="0.49775"
                           y3="2.09904"
                           yFract="0.24870142"
                           z3="6.35354"
                           zFract="0.28593789"/>
                     <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="6.29325"
                           xFract="0.74564573"
                           y3="-0.00301"
                           yFract="-0.00035664"
                           z3="6.3081"
                           zFract="0.28389289"/>
                     <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="4.13195"
                           xFract="0.48956754"
                           y3="-0.15383"
                           yFract="-0.0182263"
                           z3="4.26594"
                           zFract="0.1919865"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.25583"
                           xFract="0.50424526"
                           y3="0.06795"
                           yFract="0.00805095"
                           z3="8.48198"
                           zFract="0.38172727"/>
                     <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="6.25143"
                           xFract="0.74069076"
                           y3="2.20372"
                           yFract="0.26110427"
                           z3="4.29279"
                           zFract="0.19319487"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3053"
                           xFract="0.74707346"
                           y3="2.13482"
                           yFract="0.25294076"
                           z3="8.45343"
                           zFract="0.38044239"/>
                     <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="-0.16514"
                           xFract="-0.01956635"
                           y3="6.33862"
                           yFract="0.75102133"
                           z3="6.19614"
                           zFract="0.27885419"/>
                     <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="2.13882"
                           xFract="0.25341469"
                           y3="4.34345"
                           yFract="0.51462678"
                           z3="6.35142"
                           zFract="0.28584248"/>
                     <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="-0.01049"
                           xFract="-0.00124289"
                           y3="4.30687"
                           yFract="0.51029265"
                           z3="4.23773"
                           zFract="0.19071692"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00436"
                           xFract="0.00051659"
                           y3="4.20218"
                           yFract="0.49788863"
                           z3="8.50524"
                           zFract="0.38277408"/>
                     <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="2.29799"
                           xFract="0.2722737"
                           y3="6.26385"
                           yFract="0.74216232"
                           z3="4.10468"
                           zFract="0.18472907"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17111"
                           xFract="0.25724052"
                           y3="6.31857"
                           yFract="0.74864573"
                           z3="8.6467"
                           zFract="0.38914041"/>
                     <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="4.35793"
                           xFract="0.51634242"
                           y3="6.32425"
                           yFract="0.74931872"
                           z3="6.32758"
                           zFract="0.28476958"/>
                     <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="6.27401"
                           xFract="0.74336611"
                           y3="4.2295"
                           yFract="0.50112559"
                           z3="6.34511"
                           zFract="0.28555851"/>
                     <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="4.22503"
                           xFract="0.50059597"
                           y3="4.36264"
                           yFract="0.51690047"
                           z3="4.29685"
                           zFract="0.19337759"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23508"
                           xFract="0.50178673"
                           y3="4.1492"
                           yFract="0.49161137"
                           z3="8.39756"
                           zFract="0.37792799"/>
                     <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="6.12271"
                           xFract="0.72543957"
                           y3="6.31716"
                           yFract="0.74847867"
                           z3="4.27647"
                           zFract="0.1924604"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.31881"
                           xFract="0.74867417"
                           y3="6.30213"
                           yFract="0.74669787"
                           z3="8.39349"
                           zFract="0.37774482"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.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="6.34864"
                           xFract="0.75220853"
                           y3="4.20277"
                           yFract="0.49795853"
                           z3="8.41111"
                           zFract="0.3785378"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3078"
                           xFract="0.74736967"
                           y3="6.33853"
                           yFract="0.75101066"
                           z3="6.33058"
                           zFract="0.28490459"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.19989"
                           xFract="0.4976173"
                           y3="6.31271"
                           yFract="0.74795142"
                           z3="4.2165"
                           zFract="0.18976148"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21185"
                           xFract="0.49903436"
                           y3="4.2360"
                           yFract="0.50189573"
                           z3="6.35031"
                           zFract="0.28579253"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.21541"
                           xFract="0.49945616"
                           y3="-0.0170"
                           yFract="-0.00201422"
                           z3="6.37524"
                           zFract="0.28691449"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23459"
                           xFract="0.50172867"
                           y3="2.11914"
                           yFract="0.25108294"
                           z3="8.43247"
                           zFract="0.3794991"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.32135"
                           xFract="0.74897512"
                           y3="4.26077"
                           yFract="0.50483057"
                           z3="4.20384"
                           zFract="0.18919172"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.33075"
                           xFract="0.75008886"
                           y3="2.09853"
                           yFract="0.248641"
                           z3="6.36744"
                           zFract="0.28656346"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10664"
                           xFract="0.2496019"
                           y3="4.22656"
                           yFract="0.50077725"
                           z3="8.43826"
                           zFract="0.37975968"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10613"
                           xFract="0.24954147"
                           y3="4.26045"
                           yFract="0.50479265"
                           z3="4.25989"
                           zFract="0.19171422"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00338"
                           xFract="-0.00040047"
                           y3="6.36537"
                           yFract="0.75419076"
                           z3="4.19798"
                           zFract="0.18892799"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.0923"
                           xFract="0.24790284"
                           y3="-0.01025"
                           yFract="-0.00121445"
                           z3="4.25123"
                           zFract="0.19132448"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.06061"
                           xFract="0.2441481"
                           y3="6.34092"
                           yFract="0.75129384"
                           z3="6.3800"
                           zFract="0.28712871"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.00919"
                           xFract="-0.00108886"
                           y3="2.12988"
                           yFract="0.25235545"
                           z3="8.65477"
                           zFract="0.3895036"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.02164"
                           xFract="0.00256398"
                           y3="6.31202"
                           yFract="0.74786967"
                           z3="8.64246"
                           zFract="0.38894959"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.36275"
                           xFract="0.75388033"
                           y3="0.02364"
                           yFract="0.00280095"
                           z3="4.19942"
                           zFract="0.1889928"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.06874"
                           xFract="0.24511137"
                           y3="2.0676"
                           yFract="0.2449763"
                           z3="6.37151"
                           zFract="0.28674662"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01655"
                           xFract="-0.0019609"
                           y3="-0.00747"
                           yFract="-0.00088507"
                           z3="6.45602"
                           zFract="0.29054995"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2244"
                           xFract="0.50052133"
                           y3="6.32799"
                           yFract="0.74976185"
                           z3="8.49447"
                           zFract="0.38228938"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.0195"
                           xFract="-0.00231043"
                           y3="4.22638"
                           yFract="0.50075592"
                           z3="6.41656"
                           zFract="0.28877408"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21366"
                           xFract="0.49924882"
                           y3="2.08138"
                           yFract="0.246609"
                           z3="4.21479"
                           zFract="0.18968452"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34937"
                           xFract="0.75229502"
                           y3="0.01178"
                           yFract="0.00139573"
                           z3="8.50126"
                           zFract="0.38259496"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01517"
                           xFract="-0.00179739"
                           y3="2.09139"
                           yFract="0.24779502"
                           z3="4.19243"
                           zFract="0.18867822"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10689"
                           xFract="0.24963152"
                           y3="-0.01087"
                           yFract="-0.00128791"
                           z3="8.55816"
                           zFract="0.38515572"/>
                     <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="-0.01616"
                           xFract="-0.00191469"
                           y3="2.10703"
                           yFract="0.2496481"
                           z3="6.2136"
                           zFract="0.27963996"/>
                     <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="2.12569"
                           xFract="0.251859"
                           y3="-0.11997"
                           yFract="-0.01421445"
                           z3="6.40428"
                           zFract="0.28822142"/>
                     <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="0.09224"
                           xFract="0.01092891"
                           y3="-0.05575"
                           yFract="-0.00660545"
                           z3="4.24826"
                           zFract="0.19119082"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01796"
                           xFract="-0.00212796"
                           y3="0.02355"
                           yFract="0.00279028"
                           z3="8.58168"
                           zFract="0.38621422"/>
                     <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="2.17144"
                           xFract="0.25727962"
                           y3="2.23079"
                           yFract="0.26431161"
                           z3="4.21351"
                           zFract="0.18962691"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13689"
                           xFract="0.25318602"
                           y3="2.11896"
                           yFract="0.25106161"
                           z3="8.48227"
                           zFract="0.38174032"/>
                     <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="4.2016"
                           xFract="0.49781991"
                           y3="2.10184"
                           yFract="0.24903318"
                           z3="6.35719"
                           zFract="0.28610216"/>
                     <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="6.29265"
                           xFract="0.74557464"
                           y3="-0.00396"
                           yFract="-0.00046919"
                           z3="6.31022"
                           zFract="0.2839883"/>
                     <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="4.11855"
                           xFract="0.48797986"
                           y3="-0.15016"
                           yFract="-0.01779147"
                           z3="4.27264"
                           zFract="0.19228803"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.25949"
                           xFract="0.50467891"
                           y3="0.0676"
                           yFract="0.00800948"
                           z3="8.48291"
                           zFract="0.38176913"/>
                     <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="6.2505"
                           xFract="0.74058057"
                           y3="2.20284"
                           yFract="0.2610"
                           z3="4.29402"
                           zFract="0.19325023"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30812"
                           xFract="0.74740758"
                           y3="2.13696"
                           yFract="0.25319431"
                           z3="8.45336"
                           zFract="0.38043924"/>
                     <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="-0.16629"
                           xFract="-0.01970261"
                           y3="6.34064"
                           yFract="0.75126066"
                           z3="6.19329"
                           zFract="0.27872592"/>
                     <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="2.13634"
                           xFract="0.25312085"
                           y3="4.3442"
                           yFract="0.51471564"
                           z3="6.35579"
                           zFract="0.28603915"/>
                     <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="-0.01396"
                           xFract="-0.00165403"
                           y3="4.3058"
                           yFract="0.51016588"
                           z3="4.2411"
                           zFract="0.19086859"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00457"
                           xFract="0.00054147"
                           y3="4.20375"
                           yFract="0.49807464"
                           z3="8.51165"
                           zFract="0.38306256"/>
                     <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="2.29404"
                           xFract="0.27180569"
                           y3="6.2606"
                           yFract="0.74177725"
                           z3="4.1008"
                           zFract="0.18455446"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17261"
                           xFract="0.25741825"
                           y3="6.31742"
                           yFract="0.74850948"
                           z3="8.6719"
                           zFract="0.39027453"/>
                     <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="4.35769"
                           xFract="0.51631398"
                           y3="6.32219"
                           yFract="0.74907464"
                           z3="6.33368"
                           zFract="0.2850441"/>
                     <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="6.27321"
                           xFract="0.74327133"
                           y3="4.23358"
                           yFract="0.501609"
                           z3="6.34696"
                           zFract="0.28564176"/>
                     <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="4.22246"
                           xFract="0.50029147"
                           y3="4.36741"
                           yFract="0.51746564"
                           z3="4.29834"
                           zFract="0.19344464"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23546"
                           xFract="0.50183175"
                           y3="4.14982"
                           yFract="0.49168483"
                           z3="8.40278"
                           zFract="0.37816292"/>
                     <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="6.11364"
                           xFract="0.72436493"
                           y3="6.32184"
                           yFract="0.74903318"
                           z3="4.28672"
                           zFract="0.19292169"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32276"
                           xFract="0.74914218"
                           y3="6.30093"
                           yFract="0.74655569"
                           z3="8.39524"
                           zFract="0.37782358"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.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="6.34828"
                           xFract="0.75216588"
                           y3="4.20386"
                           yFract="0.49808768"
                           z3="8.41274"
                           zFract="0.37861116"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30627"
                           xFract="0.74718839"
                           y3="6.33899"
                           yFract="0.75106517"
                           z3="6.3346"
                           zFract="0.28508551"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.19488"
                           xFract="0.4970237"
                           y3="6.31797"
                           yFract="0.74857464"
                           z3="4.21781"
                           zFract="0.18982043"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21338"
                           xFract="0.49921564"
                           y3="4.23542"
                           yFract="0.50182701"
                           z3="6.35605"
                           zFract="0.28605086"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.21331"
                           xFract="0.49920735"
                           y3="-0.01834"
                           yFract="-0.00217299"
                           z3="6.38016"
                           zFract="0.28713591"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23692"
                           xFract="0.50200474"
                           y3="2.12024"
                           yFract="0.25121327"
                           z3="8.43427"
                           zFract="0.37958011"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.31978"
                           xFract="0.7487891"
                           y3="4.26266"
                           yFract="0.5050545"
                           z3="4.20521"
                           zFract="0.18925338"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.32809"
                           xFract="0.7497737"
                           y3="2.09817"
                           yFract="0.24859834"
                           z3="6.3682"
                           zFract="0.28659766"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10681"
                           xFract="0.24962204"
                           y3="4.22668"
                           yFract="0.50079147"
                           z3="8.44365"
                           zFract="0.38000225"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10379"
                           xFract="0.24926422"
                           y3="4.26007"
                           yFract="0.50474763"
                           z3="4.26406"
                           zFract="0.19190189"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.0040"
                           xFract="-0.00047393"
                           y3="6.3639"
                           yFract="0.75401659"
                           z3="4.20027"
                           zFract="0.18903105"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.09122"
                           xFract="0.24777488"
                           y3="-0.01227"
                           yFract="-0.00145379"
                           z3="4.25797"
                           zFract="0.19162781"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.05762"
                           xFract="0.24379384"
                           y3="6.34057"
                           yFract="0.75125237"
                           z3="6.38843"
                           zFract="0.2875081"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.00989"
                           xFract="-0.0011718"
                           y3="2.12955"
                           yFract="0.25231635"
                           z3="8.65913"
                           zFract="0.38969982"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.02248"
                           xFract="0.00266351"
                           y3="6.31235"
                           yFract="0.74790877"
                           z3="8.65401"
                           zFract="0.3894694"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.36266"
                           xFract="0.75386967"
                           y3="0.02426"
                           yFract="0.00287441"
                           z3="4.20038"
                           zFract="0.189036"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.06808"
                           xFract="0.24503318"
                           y3="2.0668"
                           yFract="0.24488152"
                           z3="6.3732"
                           zFract="0.28682268"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.0172"
                           xFract="-0.00203791"
                           y3="-0.0075"
                           yFract="-0.00088863"
                           z3="6.46213"
                           zFract="0.29082493"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2248"
                           xFract="0.50056872"
                           y3="6.3253"
                           yFract="0.74944313"
                           z3="8.49967"
                           zFract="0.3825234"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.02091"
                           xFract="-0.00247749"
                           y3="4.22833"
                           yFract="0.50098697"
                           z3="6.41987"
                           zFract="0.28892304"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21476"
                           xFract="0.49937915"
                           y3="2.08209"
                           yFract="0.24669313"
                           z3="4.21454"
                           zFract="0.18967327"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.35028"
                           xFract="0.75240284"
                           y3="0.01309"
                           yFract="0.00155095"
                           z3="8.50586"
                           zFract="0.38280198"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01546"
                           xFract="-0.00183175"
                           y3="2.09313"
                           yFract="0.24800118"
                           z3="4.19196"
                           zFract="0.18865707"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1067"
                           xFract="0.249609"
                           y3="-0.01299"
                           yFract="-0.0015391"
                           z3="8.56643"
                           zFract="0.3855279"/>
                     <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="-0.01764"
                           xFract="-0.00209005"
                           y3="2.10693"
                           yFract="0.24963626"
                           z3="6.21552"
                           zFract="0.27972637"/>
                     <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="2.12476"
                           xFract="0.25174882"
                           y3="-0.12098"
                           yFract="-0.01433412"
                           z3="6.41247"
                           zFract="0.28859001"/>
                     <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="0.09747"
                           xFract="0.01154858"
                           y3="-0.0556"
                           yFract="-0.00658768"
                           z3="4.2476"
                           zFract="0.19116112"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01968"
                           xFract="-0.00233175"
                           y3="0.02397"
                           yFract="0.00284005"
                           z3="8.58858"
                           zFract="0.38652475"/>
                     <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="2.16815"
                           xFract="0.25688981"
                           y3="2.23245"
                           yFract="0.26450829"
                           z3="4.21408"
                           zFract="0.18965257"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13719"
                           xFract="0.25322156"
                           y3="2.11873"
                           yFract="0.25103436"
                           z3="8.48871"
                           zFract="0.38203015"/>
                     <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="4.20232"
                           xFract="0.49790521"
                           y3="2.1035"
                           yFract="0.24922986"
                           z3="6.36393"
                           zFract="0.28640549"/>
                     <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="6.29153"
                           xFract="0.74544194"
                           y3="-0.00454"
                           yFract="-0.00053791"
                           z3="6.31294"
                           zFract="0.28411071"/>
                     <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="4.11132"
                           xFract="0.48712322"
                           y3="-0.15527"
                           yFract="-0.01839692"
                           z3="4.27842"
                           zFract="0.19254815"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.26128"
                           xFract="0.504891"
                           y3="0.06888"
                           yFract="0.00816114"
                           z3="8.48475"
                           zFract="0.38185194"/>
                     <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="6.25057"
                           xFract="0.74058886"
                           y3="2.20439"
                           yFract="0.26118365"
                           z3="4.29202"
                           zFract="0.19316022"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30654"
                           xFract="0.74722038"
                           y3="2.1384"
                           yFract="0.25336493"
                           z3="8.45269"
                           zFract="0.38040909"/>
                     <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="-0.16603"
                           xFract="-0.0196718"
                           y3="6.34261"
                           yFract="0.75149408"
                           z3="6.19116"
                           zFract="0.27863006"/>
                     <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="2.13465"
                           xFract="0.25292062"
                           y3="4.34623"
                           yFract="0.51495616"
                           z3="6.35987"
                           zFract="0.28622277"/>
                     <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="-0.01466"
                           xFract="-0.00173697"
                           y3="4.30843"
                           yFract="0.51047749"
                           z3="4.24254"
                           zFract="0.19093339"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00508"
                           xFract="0.0006019"
                           y3="4.20507"
                           yFract="0.49823104"
                           z3="8.51504"
                           zFract="0.38321512"/>
                     <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="2.29405"
                           xFract="0.27180687"
                           y3="6.2625"
                           yFract="0.74200237"
                           z3="4.09832"
                           zFract="0.18444284"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17513"
                           xFract="0.25771682"
                           y3="6.31669"
                           yFract="0.74842299"
                           z3="8.68892"
                           zFract="0.3910405"/>
                     <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="4.35333"
                           xFract="0.51579739"
                           y3="6.32395"
                           yFract="0.74928318"
                           z3="6.33909"
                           zFract="0.28528758"/>
                     <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="6.27114"
                           xFract="0.74302607"
                           y3="4.23557"
                           yFract="0.50184479"
                           z3="6.35045"
                           zFract="0.28579883"/>
                     <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="4.21963"
                           xFract="0.49995616"
                           y3="4.37124"
                           yFract="0.51791943"
                           z3="4.3026"
                           zFract="0.19363636"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23456"
                           xFract="0.50172512"
                           y3="4.14921"
                           yFract="0.49161256"
                           z3="8.40365"
                           zFract="0.37820207"/>
                     <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="6.11013"
                           xFract="0.72394905"
                           y3="6.32284"
                           yFract="0.74915166"
                           z3="4.29001"
                           zFract="0.19306976"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32409"
                           xFract="0.74929976"
                           y3="6.30047"
                           yFract="0.74650118"
                           z3="8.39716"
                           zFract="0.37790999"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.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="6.34828"
                           xFract="0.75216588"
                           y3="4.20387"
                           yFract="0.49808886"
                           z3="8.41275"
                           zFract="0.37861161"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30627"
                           xFract="0.74718839"
                           y3="6.33899"
                           yFract="0.75106517"
                           z3="6.33461"
                           zFract="0.28508596"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.19487"
                           xFract="0.49702251"
                           y3="6.31799"
                           yFract="0.74857701"
                           z3="4.21782"
                           zFract="0.18982088"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21338"
                           xFract="0.49921564"
                           y3="4.23542"
                           yFract="0.50182701"
                           z3="6.35607"
                           zFract="0.28605176"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.21331"
                           xFract="0.49920735"
                           y3="-0.01834"
                           yFract="-0.00217299"
                           z3="6.38018"
                           zFract="0.28713681"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23692"
                           xFract="0.50200474"
                           y3="2.12024"
                           yFract="0.25121327"
                           z3="8.43428"
                           zFract="0.37958056"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.31977"
                           xFract="0.74878791"
                           y3="4.26266"
                           yFract="0.5050545"
                           z3="4.20521"
                           zFract="0.18925338"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.32808"
                           xFract="0.74977251"
                           y3="2.09817"
                           yFract="0.24859834"
                           z3="6.3682"
                           zFract="0.28659766"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10681"
                           xFract="0.24962204"
                           y3="4.22668"
                           yFract="0.50079147"
                           z3="8.44367"
                           zFract="0.38000315"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10378"
                           xFract="0.24926303"
                           y3="4.26007"
                           yFract="0.50474763"
                           z3="4.26407"
                           zFract="0.19190234"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.0040"
                           xFract="-0.00047393"
                           y3="6.3639"
                           yFract="0.75401659"
                           z3="4.20028"
                           zFract="0.1890315"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.09122"
                           xFract="0.24777488"
                           y3="-0.01227"
                           yFract="-0.00145379"
                           z3="4.25799"
                           zFract="0.19162871"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.05761"
                           xFract="0.24379265"
                           y3="6.34056"
                           yFract="0.75125118"
                           z3="6.38846"
                           zFract="0.28750945"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.00989"
                           xFract="-0.0011718"
                           y3="2.12955"
                           yFract="0.25231635"
                           z3="8.65914"
                           zFract="0.38970027"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.02248"
                           xFract="0.00266351"
                           y3="6.31235"
                           yFract="0.74790877"
                           z3="8.65404"
                           zFract="0.38947075"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.36266"
                           xFract="0.75386967"
                           y3="0.02426"
                           yFract="0.00287441"
                           z3="4.20039"
                           zFract="0.18903645"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.06808"
                           xFract="0.24503318"
                           y3="2.0668"
                           yFract="0.24488152"
                           z3="6.37321"
                           zFract="0.28682313"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.0172"
                           xFract="-0.00203791"
                           y3="-0.0075"
                           yFract="-0.00088863"
                           z3="6.46215"
                           zFract="0.29082583"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2248"
                           xFract="0.50056872"
                           y3="6.32529"
                           yFract="0.74944194"
                           z3="8.49969"
                           zFract="0.3825243"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.02091"
                           xFract="-0.00247749"
                           y3="4.22833"
                           yFract="0.50098697"
                           z3="6.41988"
                           zFract="0.28892349"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21476"
                           xFract="0.49937915"
                           y3="2.08209"
                           yFract="0.24669313"
                           z3="4.21454"
                           zFract="0.18967327"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.35028"
                           xFract="0.75240284"
                           y3="0.01309"
                           yFract="0.00155095"
                           z3="8.50588"
                           zFract="0.38280288"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01546"
                           xFract="-0.00183175"
                           y3="2.09314"
                           yFract="0.24800237"
                           z3="4.19196"
                           zFract="0.18865707"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1067"
                           xFract="0.249609"
                           y3="-0.01299"
                           yFract="-0.0015391"
                           z3="8.56645"
                           zFract="0.3855288"/>
                     <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="-0.01764"
                           xFract="-0.00209005"
                           y3="2.10693"
                           yFract="0.24963626"
                           z3="6.21552"
                           zFract="0.27972637"/>
                     <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="2.12476"
                           xFract="0.25174882"
                           y3="-0.12098"
                           yFract="-0.01433412"
                           z3="6.41249"
                           zFract="0.28859091"/>
                     <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="0.09749"
                           xFract="0.01155095"
                           y3="-0.0556"
                           yFract="-0.00658768"
                           z3="4.24759"
                           zFract="0.19116067"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01968"
                           xFract="-0.00233175"
                           y3="0.02397"
                           yFract="0.00284005"
                           z3="8.58861"
                           zFract="0.3865261"/>
                     <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="2.16814"
                           xFract="0.25688863"
                           y3="2.23245"
                           yFract="0.26450829"
                           z3="4.21409"
                           zFract="0.18965302"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13719"
                           xFract="0.25322156"
                           y3="2.11873"
                           yFract="0.25103436"
                           z3="8.48873"
                           zFract="0.38203105"/>
                     <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="4.20233"
                           xFract="0.4979064"
                           y3="2.1035"
                           yFract="0.24922986"
                           z3="6.36395"
                           zFract="0.28640639"/>
                     <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="6.29153"
                           xFract="0.74544194"
                           y3="-0.00454"
                           yFract="-0.00053791"
                           z3="6.31294"
                           zFract="0.28411071"/>
                     <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="4.1113"
                           xFract="0.48712085"
                           y3="-0.15529"
                           yFract="-0.01839929"
                           z3="4.27843"
                           zFract="0.1925486"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.26129"
                           xFract="0.50489218"
                           y3="0.06889"
                           yFract="0.00816232"
                           z3="8.48476"
                           zFract="0.38185239"/>
                     <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="6.25057"
                           xFract="0.74058886"
                           y3="2.20439"
                           yFract="0.26118365"
                           z3="4.29201"
                           zFract="0.19315977"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30653"
                           xFract="0.74721919"
                           y3="2.1384"
                           yFract="0.25336493"
                           z3="8.45269"
                           zFract="0.38040909"/>
                     <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="-0.16603"
                           xFract="-0.0196718"
                           y3="6.34262"
                           yFract="0.75149526"
                           z3="6.19116"
                           zFract="0.27863006"/>
                     <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="2.13464"
                           xFract="0.25291943"
                           y3="4.34624"
                           yFract="0.51495735"
                           z3="6.35988"
                           zFract="0.28622322"/>
                     <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="-0.01466"
                           xFract="-0.00173697"
                           y3="4.30844"
                           yFract="0.51047867"
                           z3="4.24255"
                           zFract="0.19093384"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00508"
                           xFract="0.0006019"
                           y3="4.20508"
                           yFract="0.49823223"
                           z3="8.51505"
                           zFract="0.38321557"/>
                     <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="2.29405"
                           xFract="0.27180687"
                           y3="6.26251"
                           yFract="0.74200355"
                           z3="4.09831"
                           zFract="0.18444239"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17514"
                           xFract="0.25771801"
                           y3="6.31668"
                           yFract="0.7484218"
                           z3="8.68897"
                           zFract="0.39104275"/>
                     <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="4.35331"
                           xFract="0.51579502"
                           y3="6.32395"
                           yFract="0.74928318"
                           z3="6.33911"
                           zFract="0.28528848"/>
                     <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="6.27114"
                           xFract="0.74302607"
                           y3="4.23558"
                           yFract="0.50184597"
                           z3="6.35046"
                           zFract="0.28579928"/>
                     <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="4.21962"
                           xFract="0.49995498"
                           y3="4.37125"
                           yFract="0.51792062"
                           z3="4.30261"
                           zFract="0.19363681"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23456"
                           xFract="0.50172512"
                           y3="4.1492"
                           yFract="0.49161137"
                           z3="8.40365"
                           zFract="0.37820207"/>
                     <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="6.11012"
                           xFract="0.72394787"
                           y3="6.32284"
                           yFract="0.74915166"
                           z3="4.29002"
                           zFract="0.19307021"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3241"
                           xFract="0.74930095"
                           y3="6.30047"
                           yFract="0.74650118"
                           z3="8.39716"
                           zFract="0.37790999"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.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="6.34828"
                           xFract="0.75216588"
                           y3="4.20387"
                           yFract="0.49808886"
                           z3="8.41275"
                           zFract="0.37861161"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30626"
                           xFract="0.7471872"
                           y3="6.33899"
                           yFract="0.75106517"
                           z3="6.33463"
                           zFract="0.28508686"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.19484"
                           xFract="0.49701896"
                           y3="6.31802"
                           yFract="0.74858057"
                           z3="4.21783"
                           zFract="0.18982133"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21339"
                           xFract="0.49921682"
                           y3="4.23541"
                           yFract="0.50182583"
                           z3="6.3561"
                           zFract="0.28605311"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2133"
                           xFract="0.49920616"
                           y3="-0.01835"
                           yFract="-0.00217417"
                           z3="6.38021"
                           zFract="0.28713816"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23694"
                           xFract="0.50200711"
                           y3="2.12025"
                           yFract="0.25121445"
                           z3="8.43429"
                           zFract="0.37958101"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.31976"
                           xFract="0.74878673"
                           y3="4.26267"
                           yFract="0.50505569"
                           z3="4.20522"
                           zFract="0.18925383"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.32806"
                           xFract="0.74977014"
                           y3="2.09817"
                           yFract="0.24859834"
                           z3="6.3682"
                           zFract="0.28659766"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10681"
                           xFract="0.24962204"
                           y3="4.22668"
                           yFract="0.50079147"
                           z3="8.4437"
                           zFract="0.3800045"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10377"
                           xFract="0.24926185"
                           y3="4.26007"
                           yFract="0.50474763"
                           z3="4.2641"
                           zFract="0.19190369"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.0040"
                           xFract="-0.00047393"
                           y3="6.36389"
                           yFract="0.7540154"
                           z3="4.20029"
                           zFract="0.18903195"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.09121"
                           xFract="0.2477737"
                           y3="-0.01229"
                           yFract="-0.00145616"
                           z3="4.25803"
                           zFract="0.19163051"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.05759"
                           xFract="0.24379028"
                           y3="6.34056"
                           yFract="0.75125118"
                           z3="6.38851"
                           zFract="0.2875117"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.0099"
                           xFract="-0.00117299"
                           y3="2.12955"
                           yFract="0.25231635"
                           z3="8.65917"
                           zFract="0.38970162"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.02249"
                           xFract="0.00266469"
                           y3="6.31235"
                           yFract="0.74790877"
                           z3="8.65411"
                           zFract="0.3894739"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.36266"
                           xFract="0.75386967"
                           y3="0.02427"
                           yFract="0.00287559"
                           z3="4.20039"
                           zFract="0.18903645"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.06807"
                           xFract="0.24503199"
                           y3="2.0668"
                           yFract="0.24488152"
                           z3="6.37322"
                           zFract="0.28682358"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.0172"
                           xFract="-0.00203791"
                           y3="-0.0075"
                           yFract="-0.00088863"
                           z3="6.46218"
                           zFract="0.29082718"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2248"
                           xFract="0.50056872"
                           y3="6.32528"
                           yFract="0.74944076"
                           z3="8.49972"
                           zFract="0.38252565"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.02092"
                           xFract="-0.00247867"
                           y3="4.22834"
                           yFract="0.50098815"
                           z3="6.4199"
                           zFract="0.28892439"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21477"
                           xFract="0.49938033"
                           y3="2.0821"
                           yFract="0.24669431"
                           z3="4.21453"
                           zFract="0.18967282"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.35029"
                           xFract="0.75240403"
                           y3="0.0131"
                           yFract="0.00155213"
                           z3="8.5059"
                           zFract="0.38280378"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01547"
                           xFract="-0.00183294"
                           y3="2.09315"
                           yFract="0.24800355"
                           z3="4.19196"
                           zFract="0.18865707"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1067"
                           xFract="0.249609"
                           y3="-0.01301"
                           yFract="-0.00154147"
                           z3="8.5665"
                           zFract="0.38553105"/>
                     <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="-0.01765"
                           xFract="-0.00209123"
                           y3="2.10692"
                           yFract="0.24963507"
                           z3="6.21554"
                           zFract="0.27972727"/>
                     <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="2.12475"
                           xFract="0.25174763"
                           y3="-0.12099"
                           yFract="-0.01433531"
                           z3="6.41254"
                           zFract="0.28859316"/>
                     <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="0.09752"
                           xFract="0.0115545"
                           y3="-0.0556"
                           yFract="-0.00658768"
                           z3="4.24759"
                           zFract="0.19116067"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01969"
                           xFract="-0.00233294"
                           y3="0.02398"
                           yFract="0.00284123"
                           z3="8.58865"
                           zFract="0.3865279"/>
                     <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="2.16812"
                           xFract="0.25688626"
                           y3="2.23246"
                           yFract="0.26450948"
                           z3="4.21409"
                           zFract="0.18965302"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13719"
                           xFract="0.25322156"
                           y3="2.11873"
                           yFract="0.25103436"
                           z3="8.48877"
                           zFract="0.38203285"/>
                     <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="4.20233"
                           xFract="0.4979064"
                           y3="2.10351"
                           yFract="0.24923104"
                           z3="6.36399"
                           zFract="0.28640819"/>
                     <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="6.29152"
                           xFract="0.74544076"
                           y3="-0.00454"
                           yFract="-0.00053791"
                           z3="6.31296"
                           zFract="0.28411161"/>
                     <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="4.11126"
                           xFract="0.48711611"
                           y3="-0.15532"
                           yFract="-0.01840284"
                           z3="4.27847"
                           zFract="0.19255041"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2613"
                           xFract="0.50489336"
                           y3="0.06889"
                           yFract="0.00816232"
                           z3="8.48477"
                           zFract="0.38185284"/>
                     <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="6.25057"
                           xFract="0.74058886"
                           y3="2.2044"
                           yFract="0.26118483"
                           z3="4.2920"
                           zFract="0.19315932"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30652"
                           xFract="0.74721801"
                           y3="2.13841"
                           yFract="0.25336611"
                           z3="8.45269"
                           zFract="0.38040909"/>
                     <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="-0.16603"
                           xFract="-0.0196718"
                           y3="6.34263"
                           yFract="0.75149645"
                           z3="6.19114"
                           zFract="0.27862916"/>
                     <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="2.13463"
                           xFract="0.25291825"
                           y3="4.34625"
                           yFract="0.51495853"
                           z3="6.35991"
                           zFract="0.28622457"/>
                     <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="-0.01466"
                           xFract="-0.00173697"
                           y3="4.30845"
                           yFract="0.51047986"
                           z3="4.24256"
                           zFract="0.19093429"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00508"
                           xFract="0.0006019"
                           y3="4.20508"
                           yFract="0.49823223"
                           z3="8.51507"
                           zFract="0.38321647"/>
                     <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="2.29405"
                           xFract="0.27180687"
                           y3="6.26252"
                           yFract="0.74200474"
                           z3="4.0983"
                           zFract="0.18444194"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17516"
                           xFract="0.25772038"
                           y3="6.31668"
                           yFract="0.7484218"
                           z3="8.68907"
                           zFract="0.39104725"/>
                     <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="4.35329"
                           xFract="0.51579265"
                           y3="6.32396"
                           yFract="0.74928436"
                           z3="6.33914"
                           zFract="0.28528983"/>
                     <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="6.27113"
                           xFract="0.74302488"
                           y3="4.23559"
                           yFract="0.50184716"
                           z3="6.35048"
                           zFract="0.28580018"/>
                     <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="4.2196"
                           xFract="0.49995261"
                           y3="4.37127"
                           yFract="0.51792299"
                           z3="4.30263"
                           zFract="0.19363771"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23455"
                           xFract="0.50172393"
                           y3="4.1492"
                           yFract="0.49161137"
                           z3="8.40366"
                           zFract="0.37820252"/>
                     <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="6.1101"
                           xFract="0.7239455"
                           y3="6.32285"
                           yFract="0.74915284"
                           z3="4.29004"
                           zFract="0.19307111"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3241"
                           xFract="0.74930095"
                           y3="6.30047"
                           yFract="0.74650118"
                           z3="8.39717"
                           zFract="0.37791044"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.24">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.34827"
                           xFract="0.75216469"
                           y3="4.20388"
                           yFract="0.49809005"
                           z3="8.41277"
                           zFract="0.37861251"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30624"
                           xFract="0.74718483"
                           y3="6.3390"
                           yFract="0.75106635"
                           z3="6.33468"
                           zFract="0.28508911"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.19478"
                           xFract="0.49701185"
                           y3="6.31808"
                           yFract="0.74858768"
                           z3="4.21784"
                           zFract="0.18982178"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21341"
                           xFract="0.49921919"
                           y3="4.23541"
                           yFract="0.50182583"
                           z3="6.35617"
                           zFract="0.28605626"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.21327"
                           xFract="0.49920261"
                           y3="-0.01836"
                           yFract="-0.00217536"
                           z3="6.38026"
                           zFract="0.28714041"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23696"
                           xFract="0.50200948"
                           y3="2.12026"
                           yFract="0.25121564"
                           z3="8.43431"
                           zFract="0.37958191"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.31974"
                           xFract="0.74878436"
                           y3="4.2627"
                           yFract="0.50505924"
                           z3="4.20523"
                           zFract="0.18925428"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.32803"
                           xFract="0.74976659"
                           y3="2.09817"
                           yFract="0.24859834"
                           z3="6.36821"
                           zFract="0.28659811"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10681"
                           xFract="0.24962204"
                           y3="4.22668"
                           yFract="0.50079147"
                           z3="8.44376"
                           zFract="0.3800072"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10374"
                           xFract="0.24925829"
                           y3="4.26006"
                           yFract="0.50474645"
                           z3="4.26414"
                           zFract="0.19190549"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00401"
                           xFract="-0.00047512"
                           y3="6.36387"
                           yFract="0.75401303"
                           z3="4.20032"
                           zFract="0.1890333"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.0912"
                           xFract="0.24777251"
                           y3="-0.01231"
                           yFract="-0.00145853"
                           z3="4.25811"
                           zFract="0.19163411"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.05755"
                           xFract="0.24378555"
                           y3="6.34056"
                           yFract="0.75125118"
                           z3="6.38861"
                           zFract="0.2875162"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.00991"
                           xFract="-0.00117417"
                           y3="2.12954"
                           yFract="0.25231517"
                           z3="8.65922"
                           zFract="0.38970387"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.0225"
                           xFract="0.00266588"
                           y3="6.31236"
                           yFract="0.74790995"
                           z3="8.65424"
                           zFract="0.38947975"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.36265"
                           xFract="0.75386848"
                           y3="0.02427"
                           yFract="0.00287559"
                           z3="4.2004"
                           zFract="0.1890369"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.06807"
                           xFract="0.24503199"
                           y3="2.06679"
                           yFract="0.24488033"
                           z3="6.37324"
                           zFract="0.28682448"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01721"
                           xFract="-0.0020391"
                           y3="-0.0075"
                           yFract="-0.00088863"
                           z3="6.46226"
                           zFract="0.29083078"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22481"
                           xFract="0.50056991"
                           y3="6.32524"
                           yFract="0.74943602"
                           z3="8.49978"
                           zFract="0.38252835"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.02093"
                           xFract="-0.00247986"
                           y3="4.22836"
                           yFract="0.50099052"
                           z3="6.41993"
                           zFract="0.28892574"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21478"
                           xFract="0.49938152"
                           y3="2.08211"
                           yFract="0.2466955"
                           z3="4.21453"
                           zFract="0.18967282"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3503"
                           xFract="0.75240521"
                           y3="0.01312"
                           yFract="0.0015545"
                           z3="8.50596"
                           zFract="0.38280648"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01547"
                           xFract="-0.00183294"
                           y3="2.09317"
                           yFract="0.24800592"
                           z3="4.19195"
                           zFract="0.18865662"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10669"
                           xFract="0.24960782"
                           y3="-0.01303"
                           yFract="-0.00154384"
                           z3="8.56659"
                           zFract="0.3855351"/>
                     <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="-0.01767"
                           xFract="-0.0020936"
                           y3="2.10692"
                           yFract="0.24963507"
                           z3="6.21556"
                           zFract="0.27972817"/>
                     <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="2.12474"
                           xFract="0.25174645"
                           y3="-0.1210"
                           yFract="-0.01433649"
                           z3="6.41263"
                           zFract="0.28859721"/>
                     <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="0.09758"
                           xFract="0.01156161"
                           y3="-0.0556"
                           yFract="-0.00658768"
                           z3="4.24758"
                           zFract="0.19116022"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01971"
                           xFract="-0.00233531"
                           y3="0.02398"
                           yFract="0.00284123"
                           z3="8.58873"
                           zFract="0.3865315"/>
                     <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="2.16808"
                           xFract="0.25688152"
                           y3="2.23248"
                           yFract="0.26451185"
                           z3="4.2141"
                           zFract="0.18965347"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13719"
                           xFract="0.25322156"
                           y3="2.11873"
                           yFract="0.25103436"
                           z3="8.48884"
                           zFract="0.382036"/>
                     <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="4.20234"
                           xFract="0.49790758"
                           y3="2.10353"
                           yFract="0.24923341"
                           z3="6.36407"
                           zFract="0.28641179"/>
                     <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="6.29151"
                           xFract="0.74543957"
                           y3="-0.00455"
                           yFract="-0.0005391"
                           z3="6.31299"
                           zFract="0.28411296"/>
                     <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="4.11117"
                           xFract="0.48710545"
                           y3="-0.15537"
                           yFract="-0.01840877"
                           z3="4.27853"
                           zFract="0.19255311"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.26132"
                           xFract="0.50489573"
                           y3="0.06891"
                           yFract="0.00816469"
                           z3="8.48479"
                           zFract="0.38185374"/>
                     <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="6.25057"
                           xFract="0.74058886"
                           y3="2.20442"
                           yFract="0.2611872"
                           z3="4.29198"
                           zFract="0.19315842"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3065"
                           xFract="0.74721564"
                           y3="2.13843"
                           yFract="0.25336848"
                           z3="8.45268"
                           zFract="0.38040864"/>
                     <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="-0.16602"
                           xFract="-0.01967062"
                           y3="6.34265"
                           yFract="0.75149882"
                           z3="6.19112"
                           zFract="0.27862826"/>
                     <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="2.13461"
                           xFract="0.25291588"
                           y3="4.34628"
                           yFract="0.51496209"
                           z3="6.35996"
                           zFract="0.28622682"/>
                     <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="-0.01467"
                           xFract="-0.00173815"
                           y3="4.30849"
                           yFract="0.5104846"
                           z3="4.24257"
                           zFract="0.19093474"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00509"
                           xFract="0.00060308"
                           y3="4.2051"
                           yFract="0.4982346"
                           z3="8.51511"
                           zFract="0.38321827"/>
                     <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="2.29405"
                           xFract="0.27180687"
                           y3="6.26254"
                           yFract="0.74200711"
                           z3="4.09827"
                           zFract="0.18444059"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17519"
                           xFract="0.25772393"
                           y3="6.31667"
                           yFract="0.74842062"
                           z3="8.68927"
                           zFract="0.39105626"/>
                     <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="4.35324"
                           xFract="0.51578673"
                           y3="6.32398"
                           yFract="0.74928673"
                           z3="6.3392"
                           zFract="0.28529253"/>
                     <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="6.2711"
                           xFract="0.74302133"
                           y3="4.23561"
                           yFract="0.50184953"
                           z3="6.35052"
                           zFract="0.28580198"/>
                     <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="4.21957"
                           xFract="0.49994905"
                           y3="4.37131"
                           yFract="0.51792773"
                           z3="4.30268"
                           zFract="0.19363996"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23454"
                           xFract="0.50172275"
                           y3="4.14919"
                           yFract="0.49161019"
                           z3="8.40367"
                           zFract="0.37820297"/>
                     <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="6.11006"
                           xFract="0.72394076"
                           y3="6.32286"
                           yFract="0.74915403"
                           z3="4.29008"
                           zFract="0.19307291"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32412"
                           xFract="0.74930332"
                           y3="6.30046"
                           yFract="0.7465"
                           z3="8.39719"
                           zFract="0.37791134"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.25">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.34826"
                           xFract="0.75216351"
                           y3="4.20391"
                           yFract="0.4980936"
                           z3="8.41281"
                           zFract="0.37861431"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30621"
                           xFract="0.74718128"
                           y3="6.33901"
                           yFract="0.75106754"
                           z3="6.33477"
                           zFract="0.28509316"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.19467"
                           xFract="0.49699882"
                           y3="6.3182"
                           yFract="0.7486019"
                           z3="4.21787"
                           zFract="0.18982313"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21344"
                           xFract="0.49922275"
                           y3="4.23539"
                           yFract="0.50182346"
                           z3="6.3563"
                           zFract="0.28606211"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.21322"
                           xFract="0.49919668"
                           y3="-0.01839"
                           yFract="-0.00217891"
                           z3="6.38038"
                           zFract="0.28714581"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23702"
                           xFract="0.50201659"
                           y3="2.12029"
                           yFract="0.25121919"
                           z3="8.43435"
                           zFract="0.37958371"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.31971"
                           xFract="0.74878081"
                           y3="4.26274"
                           yFract="0.50506398"
                           z3="4.20527"
                           zFract="0.18925608"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.32797"
                           xFract="0.74975948"
                           y3="2.09816"
                           yFract="0.24859716"
                           z3="6.36823"
                           zFract="0.28659901"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10682"
                           xFract="0.24962322"
                           y3="4.22669"
                           yFract="0.50079265"
                           z3="8.44389"
                           zFract="0.38001305"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10369"
                           xFract="0.24925237"
                           y3="4.26005"
                           yFract="0.50474526"
                           z3="4.26424"
                           zFract="0.19190999"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00403"
                           xFract="-0.00047749"
                           y3="6.36384"
                           yFract="0.75400948"
                           z3="4.20037"
                           zFract="0.18903555"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.09117"
                           xFract="0.24776896"
                           y3="-0.01236"
                           yFract="-0.00146445"
                           z3="4.25827"
                           zFract="0.19164131"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.05748"
                           xFract="0.24377725"
                           y3="6.34055"
                           yFract="0.75125"
                           z3="6.3888"
                           zFract="0.28752475"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.00992"
                           xFract="-0.00117536"
                           y3="2.12953"
                           yFract="0.25231398"
                           z3="8.65932"
                           zFract="0.38970837"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.02252"
                           xFract="0.00266825"
                           y3="6.31237"
                           yFract="0.74791114"
                           z3="8.65451"
                           zFract="0.3894919"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.36265"
                           xFract="0.75386848"
                           y3="0.02429"
                           yFract="0.00287796"
                           z3="4.20042"
                           zFract="0.1890378"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.06805"
                           xFract="0.24502962"
                           y3="2.06677"
                           yFract="0.24487796"
                           z3="6.37328"
                           zFract="0.28682628"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01723"
                           xFract="-0.00204147"
                           y3="-0.0075"
                           yFract="-0.00088863"
                           z3="6.4624"
                           zFract="0.29083708"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22481"
                           xFract="0.50056991"
                           y3="6.32518"
                           yFract="0.74942891"
                           z3="8.4999"
                           zFract="0.38253375"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.02097"
                           xFract="-0.0024846"
                           y3="4.22841"
                           yFract="0.50099645"
                           z3="6.42001"
                           zFract="0.28892934"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21481"
                           xFract="0.49938507"
                           y3="2.08212"
                           yFract="0.24669668"
                           z3="4.21453"
                           zFract="0.18967282"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.35032"
                           xFract="0.75240758"
                           y3="0.01315"
                           yFract="0.00155806"
                           z3="8.50607"
                           zFract="0.38281143"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01548"
                           xFract="-0.00183412"
                           y3="2.09321"
                           yFract="0.24801066"
                           z3="4.19194"
                           zFract="0.18865617"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10669"
                           xFract="0.24960782"
                           y3="-0.01308"
                           yFract="-0.00154976"
                           z3="8.56679"
                           zFract="0.3855441"/>
                     <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="-0.0177"
                           xFract="-0.00209716"
                           y3="2.10692"
                           yFract="0.24963507"
                           z3="6.2156"
                           zFract="0.27972997"/>
                     <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="2.12472"
                           xFract="0.25174408"
                           y3="-0.12102"
                           yFract="-0.01433886"
                           z3="6.41282"
                           zFract="0.28860576"/>
                     <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="0.0977"
                           xFract="0.01157583"
                           y3="-0.05559"
                           yFract="-0.00658649"
                           z3="4.24757"
                           zFract="0.19115977"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01975"
                           xFract="-0.00234005"
                           y3="0.02399"
                           yFract="0.00284242"
                           z3="8.58889"
                           zFract="0.3865387"/>
                     <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="2.1680"
                           xFract="0.25687204"
                           y3="2.23252"
                           yFract="0.26451659"
                           z3="4.21411"
                           zFract="0.18965392"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1372"
                           xFract="0.25322275"
                           y3="2.11872"
                           yFract="0.25103318"
                           z3="8.48899"
                           zFract="0.38204275"/>
                     <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="4.20236"
                           xFract="0.49790995"
                           y3="2.10357"
                           yFract="0.24923815"
                           z3="6.36423"
                           zFract="0.28641899"/>
                     <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="6.29148"
                           xFract="0.74543602"
                           y3="-0.00456"
                           yFract="-0.00054028"
                           z3="6.31306"
                           zFract="0.28411611"/>
                     <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="4.1110"
                           xFract="0.48708531"
                           y3="-0.15549"
                           yFract="-0.01842299"
                           z3="4.27867"
                           zFract="0.19255941"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.26136"
                           xFract="0.50490047"
                           y3="0.06894"
                           yFract="0.00816825"
                           z3="8.48484"
                           zFract="0.38185599"/>
                     <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="6.25057"
                           xFract="0.74058886"
                           y3="2.20446"
                           yFract="0.26119194"
                           z3="4.29193"
                           zFract="0.19315617"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30647"
                           xFract="0.74721209"
                           y3="2.13846"
                           yFract="0.25337204"
                           z3="8.45267"
                           zFract="0.38040819"/>
                     <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="-0.16602"
                           xFract="-0.01967062"
                           y3="6.3427"
                           yFract="0.75150474"
                           z3="6.19107"
                           zFract="0.27862601"/>
                     <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="2.13458"
                           xFract="0.25291232"
                           y3="4.34632"
                           yFract="0.51496682"
                           z3="6.36005"
                           zFract="0.28623087"/>
                     <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="-0.01469"
                           xFract="-0.00174052"
                           y3="4.30855"
                           yFract="0.51049171"
                           z3="4.24261"
                           zFract="0.19093654"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0051"
                           xFract="0.00060427"
                           y3="4.20513"
                           yFract="0.49823815"
                           z3="8.51519"
                           zFract="0.38322187"/>
                     <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="2.29405"
                           xFract="0.27180687"
                           y3="6.26258"
                           yFract="0.74201185"
                           z3="4.09821"
                           zFract="0.18443789"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17525"
                           xFract="0.25773104"
                           y3="6.31665"
                           yFract="0.74841825"
                           z3="8.68966"
                           zFract="0.39107381"/>
                     <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="4.35314"
                           xFract="0.51577488"
                           y3="6.32402"
                           yFract="0.74929147"
                           z3="6.33933"
                           zFract="0.28529838"/>
                     <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="6.27105"
                           xFract="0.7430154"
                           y3="4.23566"
                           yFract="0.50185545"
                           z3="6.3506"
                           zFract="0.28580558"/>
                     <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="4.2195"
                           xFract="0.49994076"
                           y3="4.3714"
                           yFract="0.51793839"
                           z3="4.30278"
                           zFract="0.19364446"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23452"
                           xFract="0.50172038"
                           y3="4.14918"
                           yFract="0.491609"
                           z3="8.40369"
                           zFract="0.37820387"/>
                     <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="6.10998"
                           xFract="0.72393128"
                           y3="6.32288"
                           yFract="0.7491564"
                           z3="4.29015"
                           zFract="0.19307606"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32415"
                           xFract="0.74930687"
                           y3="6.30045"
                           yFract="0.74649882"
                           z3="8.39724"
                           zFract="0.37791359"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.26">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.34825"
                           xFract="0.75216232"
                           y3="4.20396"
                           yFract="0.49809953"
                           z3="8.41289"
                           zFract="0.37861791"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30614"
                           xFract="0.74717299"
                           y3="6.33903"
                           yFract="0.75106991"
                           z3="6.33496"
                           zFract="0.28510171"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.19443"
                           xFract="0.49697038"
                           y3="6.31845"
                           yFract="0.74863152"
                           z3="4.21793"
                           zFract="0.18982583"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21352"
                           xFract="0.49923223"
                           y3="4.23537"
                           yFract="0.50182109"
                           z3="6.35657"
                           zFract="0.28607426"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.21312"
                           xFract="0.49918483"
                           y3="-0.01846"
                           yFract="-0.0021872"
                           z3="6.38061"
                           zFract="0.28715617"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23712"
                           xFract="0.50202844"
                           y3="2.12034"
                           yFract="0.25122512"
                           z3="8.43443"
                           zFract="0.37958731"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.31963"
                           xFract="0.74877133"
                           y3="4.26283"
                           yFract="0.50507464"
                           z3="4.20533"
                           zFract="0.18925878"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.32785"
                           xFract="0.74974526"
                           y3="2.09814"
                           yFract="0.24859479"
                           z3="6.36826"
                           zFract="0.28660036"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10682"
                           xFract="0.24962322"
                           y3="4.22669"
                           yFract="0.50079265"
                           z3="8.44414"
                           zFract="0.3800243"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10358"
                           xFract="0.24923934"
                           y3="4.26004"
                           yFract="0.50474408"
                           z3="4.26443"
                           zFract="0.19191854"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00406"
                           xFract="-0.00048104"
                           y3="6.36377"
                           yFract="0.75400118"
                           z3="4.20048"
                           zFract="0.1890405"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.09112"
                           xFract="0.24776303"
                           y3="-0.01245"
                           yFract="-0.00147512"
                           z3="4.25858"
                           zFract="0.19165527"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.05735"
                           xFract="0.24376185"
                           y3="6.34053"
                           yFract="0.75124763"
                           z3="6.38919"
                           zFract="0.2875423"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.00995"
                           xFract="-0.00117891"
                           y3="2.12952"
                           yFract="0.2523128"
                           z3="8.65952"
                           zFract="0.38971737"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.02255"
                           xFract="0.0026718"
                           y3="6.31238"
                           yFract="0.74791232"
                           z3="8.65505"
                           zFract="0.3895162"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.36265"
                           xFract="0.75386848"
                           y3="0.02432"
                           yFract="0.00288152"
                           z3="4.20047"
                           zFract="0.18904005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.06802"
                           xFract="0.24502607"
                           y3="2.06673"
                           yFract="0.24487322"
                           z3="6.37335"
                           zFract="0.28682943"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01726"
                           xFract="-0.00204502"
                           y3="-0.0075"
                           yFract="-0.00088863"
                           z3="6.46268"
                           zFract="0.29084968"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22483"
                           xFract="0.50057227"
                           y3="6.32506"
                           yFract="0.74941469"
                           z3="8.50014"
                           zFract="0.38254455"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.02103"
                           xFract="-0.00249171"
                           y3="4.2285"
                           yFract="0.50100711"
                           z3="6.42016"
                           zFract="0.28893609"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21486"
                           xFract="0.499391"
                           y3="2.08216"
                           yFract="0.24670142"
                           z3="4.21451"
                           zFract="0.18967192"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.35036"
                           xFract="0.75241232"
                           y3="0.01321"
                           yFract="0.00156517"
                           z3="8.50628"
                           zFract="0.38282088"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01549"
                           xFract="-0.00183531"
                           y3="2.09329"
                           yFract="0.24802014"
                           z3="4.19192"
                           zFract="0.18865527"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10668"
                           xFract="0.24960664"
                           y3="-0.01318"
                           yFract="-0.00156161"
                           z3="8.56717"
                           zFract="0.38556121"/>
                     <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="-0.01777"
                           xFract="-0.00210545"
                           y3="2.10692"
                           yFract="0.24963507"
                           z3="6.21569"
                           zFract="0.27973402"/>
                     <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="2.12468"
                           xFract="0.25173934"
                           y3="-0.12107"
                           yFract="-0.01434479"
                           z3="6.41321"
                           zFract="0.28862331"/>
                     <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="0.09795"
                           xFract="0.01160545"
                           y3="-0.05559"
                           yFract="-0.00658649"
                           z3="4.24754"
                           zFract="0.19115842"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01983"
                           xFract="-0.00234953"
                           y3="0.02401"
                           yFract="0.00284479"
                           z3="8.58921"
                           zFract="0.38655311"/>
                     <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="2.16785"
                           xFract="0.25685427"
                           y3="2.23259"
                           yFract="0.26452488"
                           z3="4.21414"
                           zFract="0.18965527"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13721"
                           xFract="0.25322393"
                           y3="2.11871"
                           yFract="0.25103199"
                           z3="8.48929"
                           zFract="0.38205626"/>
                     <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="4.20239"
                           xFract="0.49791351"
                           y3="2.10365"
                           yFract="0.24924763"
                           z3="6.36454"
                           zFract="0.28643294"/>
                     <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="6.29143"
                           xFract="0.74543009"
                           y3="-0.00459"
                           yFract="-0.00054384"
                           z3="6.31318"
                           zFract="0.28412151"/>
                     <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="4.11067"
                           xFract="0.48704621"
                           y3="-0.15573"
                           yFract="-0.01845142"
                           z3="4.27894"
                           zFract="0.19257156"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.26144"
                           xFract="0.50490995"
                           y3="0.0690"
                           yFract="0.00817536"
                           z3="8.48492"
                           zFract="0.38185959"/>
                     <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="6.25057"
                           xFract="0.74058886"
                           y3="2.20453"
                           yFract="0.26120024"
                           z3="4.29184"
                           zFract="0.19315212"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30639"
                           xFract="0.74720261"
                           y3="2.13853"
                           yFract="0.25338033"
                           z3="8.45263"
                           zFract="0.38040639"/>
                     <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="-0.1660"
                           xFract="-0.01966825"
                           y3="6.34279"
                           yFract="0.7515154"
                           z3="6.19097"
                           zFract="0.27862151"/>
                     <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="2.1345"
                           xFract="0.25290284"
                           y3="4.34642"
                           yFract="0.51497867"
                           z3="6.36024"
                           zFract="0.28623942"/>
                     <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="-0.01472"
                           xFract="-0.00174408"
                           y3="4.30867"
                           yFract="0.51050592"
                           z3="4.24267"
                           zFract="0.19093924"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00512"
                           xFract="0.00060664"
                           y3="4.20519"
                           yFract="0.49824526"
                           z3="8.51535"
                           zFract="0.38322907"/>
                     <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="2.29405"
                           xFract="0.27180687"
                           y3="6.26267"
                           yFract="0.74202251"
                           z3="4.0981"
                           zFract="0.18443294"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17536"
                           xFract="0.25774408"
                           y3="6.31662"
                           yFract="0.74841469"
                           z3="8.69045"
                           zFract="0.39110936"/>
                     <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="4.35293"
                           xFract="0.51575"
                           y3="6.32411"
                           yFract="0.74930213"
                           z3="6.33958"
                           zFract="0.28530963"/>
                     <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="6.27096"
                           xFract="0.74300474"
                           y3="4.23575"
                           yFract="0.50186611"
                           z3="6.35076"
                           zFract="0.28581278"/>
                     <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="4.21937"
                           xFract="0.49992536"
                           y3="4.37158"
                           yFract="0.51795972"
                           z3="4.30298"
                           zFract="0.19365347"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23448"
                           xFract="0.50171564"
                           y3="4.14915"
                           yFract="0.49160545"
                           z3="8.40373"
                           zFract="0.37820567"/>
                     <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="6.10982"
                           xFract="0.72391232"
                           y3="6.32293"
                           yFract="0.74916232"
                           z3="4.29031"
                           zFract="0.19308326"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32421"
                           xFract="0.74931398"
                           y3="6.30043"
                           yFract="0.74649645"
                           z3="8.39733"
                           zFract="0.37791764"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.27">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.34821"
                           xFract="0.75215758"
                           y3="4.20406"
                           yFract="0.49811137"
                           z3="8.41304"
                           zFract="0.37862466"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30599"
                           xFract="0.74715521"
                           y3="6.33907"
                           yFract="0.75107464"
                           z3="6.33533"
                           zFract="0.28511836"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.19397"
                           xFract="0.49691588"
                           y3="6.31894"
                           yFract="0.74868957"
                           z3="4.21806"
                           zFract="0.18983168"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21366"
                           xFract="0.49924882"
                           y3="4.23531"
                           yFract="0.50181398"
                           z3="6.3571"
                           zFract="0.28609811"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.21293"
                           xFract="0.49916232"
                           y3="-0.01858"
                           yFract="-0.00220142"
                           z3="6.38106"
                           zFract="0.28717642"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23734"
                           xFract="0.5020545"
                           y3="2.12044"
                           yFract="0.25123697"
                           z3="8.4346"
                           zFract="0.37959496"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.31949"
                           xFract="0.74875474"
                           y3="4.2630"
                           yFract="0.50509479"
                           z3="4.20546"
                           zFract="0.18926463"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.3276"
                           xFract="0.74971564"
                           y3="2.09811"
                           yFract="0.24859123"
                           z3="6.36833"
                           zFract="0.28660351"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10684"
                           xFract="0.24962559"
                           y3="4.22671"
                           yFract="0.50079502"
                           z3="8.44464"
                           zFract="0.3800468"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10336"
                           xFract="0.24921327"
                           y3="4.2600"
                           yFract="0.50473934"
                           z3="4.26482"
                           zFract="0.19193609"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00411"
                           xFract="-0.00048697"
                           y3="6.36363"
                           yFract="0.7539846"
                           z3="4.20069"
                           zFract="0.18904995"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.09102"
                           xFract="0.24775118"
                           y3="-0.01264"
                           yFract="-0.00149763"
                           z3="4.25921"
                           zFract="0.19168362"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.05707"
                           xFract="0.24372867"
                           y3="6.3405"
                           yFract="0.75124408"
                           z3="6.38998"
                           zFract="0.28757786"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01002"
                           xFract="-0.0011872"
                           y3="2.12949"
                           yFract="0.25230924"
                           z3="8.65993"
                           zFract="0.38973582"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.02263"
                           xFract="0.00268128"
                           y3="6.31241"
                           yFract="0.74791588"
                           z3="8.65613"
                           zFract="0.38956481"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.36264"
                           xFract="0.7538673"
                           y3="0.02438"
                           yFract="0.00288863"
                           z3="4.20056"
                           zFract="0.1890441"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.06796"
                           xFract="0.24501896"
                           y3="2.06666"
                           yFract="0.24486493"
                           z3="6.37351"
                           zFract="0.28683663"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01732"
                           xFract="-0.00205213"
                           y3="-0.0075"
                           yFract="-0.00088863"
                           z3="6.46325"
                           zFract="0.29087534"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22487"
                           xFract="0.50057701"
                           y3="6.32481"
                           yFract="0.74938507"
                           z3="8.50063"
                           zFract="0.38256661"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.02116"
                           xFract="-0.00250711"
                           y3="4.22868"
                           yFract="0.50102844"
                           z3="6.42047"
                           zFract="0.28895005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21496"
                           xFract="0.49940284"
                           y3="2.08222"
                           yFract="0.24670853"
                           z3="4.21449"
                           zFract="0.18967102"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.35045"
                           xFract="0.75242299"
                           y3="0.01333"
                           yFract="0.00157938"
                           z3="8.50671"
                           zFract="0.38284023"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01552"
                           xFract="-0.00183886"
                           y3="2.09345"
                           yFract="0.2480391"
                           z3="4.19188"
                           zFract="0.18865347"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10666"
                           xFract="0.24960427"
                           y3="-0.01338"
                           yFract="-0.00158531"
                           z3="8.56794"
                           zFract="0.38559586"/>
                     <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="-0.01791"
                           xFract="-0.00212204"
                           y3="2.10691"
                           yFract="0.24963389"
                           z3="6.21587"
                           zFract="0.27974212"/>
                     <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="2.12459"
                           xFract="0.25172867"
                           y3="-0.12116"
                           yFract="-0.01435545"
                           z3="6.41397"
                           zFract="0.28865752"/>
                     <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="0.09844"
                           xFract="0.01166351"
                           y3="-0.05557"
                           yFract="-0.00658412"
                           z3="4.24747"
                           zFract="0.19115527"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01999"
                           xFract="-0.00236848"
                           y3="0.02405"
                           yFract="0.00284953"
                           z3="8.58985"
                           zFract="0.38658191"/>
                     <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="2.16755"
                           xFract="0.25681872"
                           y3="2.23275"
                           yFract="0.26454384"
                           z3="4.21419"
                           zFract="0.18965752"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13724"
                           xFract="0.25322749"
                           y3="2.11869"
                           yFract="0.25102962"
                           z3="8.48989"
                           zFract="0.38208326"/>
                     <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="4.20246"
                           xFract="0.4979218"
                           y3="2.1038"
                           yFract="0.2492654"
                           z3="6.36517"
                           zFract="0.2864613"/>
                     <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="6.29132"
                           xFract="0.74541706"
                           y3="-0.00464"
                           yFract="-0.00054976"
                           z3="6.31343"
                           zFract="0.28413276"/>
                     <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="4.10999"
                           xFract="0.48696564"
                           y3="-0.15621"
                           yFract="-0.01850829"
                           z3="4.27947"
                           zFract="0.19259541"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.26161"
                           xFract="0.50493009"
                           y3="0.06912"
                           yFract="0.00818957"
                           z3="8.48509"
                           zFract="0.38186724"/>
                     <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="6.25058"
                           xFract="0.74059005"
                           y3="2.20467"
                           yFract="0.26121682"
                           z3="4.29165"
                           zFract="0.19314356"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30625"
                           xFract="0.74718602"
                           y3="2.13866"
                           yFract="0.25339573"
                           z3="8.45257"
                           zFract="0.38040369"/>
                     <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="-0.16598"
                           xFract="-0.01966588"
                           y3="6.34298"
                           yFract="0.75153791"
                           z3="6.19077"
                           zFract="0.27861251"/>
                     <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="2.13434"
                           xFract="0.25288389"
                           y3="4.34661"
                           yFract="0.51500118"
                           z3="6.36062"
                           zFract="0.28625653"/>
                     <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="-0.01478"
                           xFract="-0.00175118"
                           y3="4.30891"
                           yFract="0.51053436"
                           z3="4.24281"
                           zFract="0.19094554"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00517"
                           xFract="0.00061256"
                           y3="4.20532"
                           yFract="0.49826066"
                           z3="8.51566"
                           zFract="0.38324302"/>
                     <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="2.29405"
                           xFract="0.27180687"
                           y3="6.26285"
                           yFract="0.74204384"
                           z3="4.09786"
                           zFract="0.18442214"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1756"
                           xFract="0.25777251"
                           y3="6.31655"
                           yFract="0.7484064"
                           z3="8.69204"
                           zFract="0.39118092"/>
                     <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="4.35253"
                           xFract="0.51570261"
                           y3="6.32427"
                           yFract="0.74932109"
                           z3="6.34008"
                           zFract="0.28533213"/>
                     <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="6.27077"
                           xFract="0.74298223"
                           y3="4.23593"
                           yFract="0.50188744"
                           z3="6.35109"
                           zFract="0.28582763"/>
                     <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="4.21911"
                           xFract="0.49989455"
                           y3="4.37194"
                           yFract="0.51800237"
                           z3="4.30338"
                           zFract="0.19367147"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2344"
                           xFract="0.50170616"
                           y3="4.14909"
                           yFract="0.49159834"
                           z3="8.40381"
                           zFract="0.37820927"/>
                     <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="6.10949"
                           xFract="0.72387322"
                           y3="6.32302"
                           yFract="0.74917299"
                           z3="4.29061"
                           zFract="0.19309676"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32434"
                           xFract="0.74932938"
                           y3="6.30039"
                           yFract="0.74649171"
                           z3="8.39751"
                           zFract="0.37792574"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.28">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.34814"
                           xFract="0.75214929"
                           y3="4.20427"
                           yFract="0.49813626"
                           z3="8.41334"
                           zFract="0.37863816"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30571"
                           xFract="0.74712204"
                           y3="6.33916"
                           yFract="0.75108531"
                           z3="6.33608"
                           zFract="0.28515212"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.19303"
                           xFract="0.4968045"
                           y3="6.31992"
                           yFract="0.74880569"
                           z3="4.2183"
                           zFract="0.18984248"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21394"
                           xFract="0.49928199"
                           y3="4.2352"
                           yFract="0.50180095"
                           z3="6.35817"
                           zFract="0.28614626"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.21254"
                           xFract="0.49911611"
                           y3="-0.01883"
                           yFract="-0.00223104"
                           z3="6.38198"
                           zFract="0.28721782"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23777"
                           xFract="0.50210545"
                           y3="2.12065"
                           yFract="0.25126185"
                           z3="8.43494"
                           zFract="0.37961026"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.31919"
                           xFract="0.74871919"
                           y3="4.26336"
                           yFract="0.50513744"
                           z3="4.20571"
                           zFract="0.18927588"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.3271"
                           xFract="0.7496564"
                           y3="2.09804"
                           yFract="0.24858294"
                           z3="6.36848"
                           zFract="0.28661026"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10687"
                           xFract="0.24962915"
                           y3="4.22673"
                           yFract="0.50079739"
                           z3="8.44565"
                           zFract="0.38009226"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10292"
                           xFract="0.24916114"
                           y3="4.25993"
                           yFract="0.50473104"
                           z3="4.2656"
                           zFract="0.1919712"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00423"
                           xFract="-0.00050118"
                           y3="6.36336"
                           yFract="0.75395261"
                           z3="4.20112"
                           zFract="0.18906931"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.09082"
                           xFract="0.24772749"
                           y3="-0.01301"
                           yFract="-0.00154147"
                           z3="4.26046"
                           zFract="0.19173987"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.05651"
                           xFract="0.24366232"
                           y3="6.34043"
                           yFract="0.75123578"
                           z3="6.39155"
                           zFract="0.28764851"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01015"
                           xFract="-0.00120261"
                           y3="2.12943"
                           yFract="0.25230213"
                           z3="8.66074"
                           zFract="0.38977228"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.02279"
                           xFract="0.00270024"
                           y3="6.31247"
                           yFract="0.74792299"
                           z3="8.65828"
                           zFract="0.38966157"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.36262"
                           xFract="0.75386493"
                           y3="0.02449"
                           yFract="0.00290166"
                           z3="4.20074"
                           zFract="0.18905221"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.06783"
                           xFract="0.24500355"
                           y3="2.06651"
                           yFract="0.24484716"
                           z3="6.37383"
                           zFract="0.28685104"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01744"
                           xFract="-0.00206635"
                           y3="-0.00751"
                           yFract="-0.00088981"
                           z3="6.46439"
                           zFract="0.29092664"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22494"
                           xFract="0.50058531"
                           y3="6.32431"
                           yFract="0.74932583"
                           z3="8.5016"
                           zFract="0.38261026"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.02143"
                           xFract="-0.0025391"
                           y3="4.22904"
                           yFract="0.50107109"
                           z3="6.42109"
                           zFract="0.28897795"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21517"
                           xFract="0.49942773"
                           y3="2.08235"
                           yFract="0.24672393"
                           z3="4.21444"
                           zFract="0.18966877"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.35062"
                           xFract="0.75244313"
                           y3="0.01357"
                           yFract="0.00160782"
                           z3="8.50757"
                           zFract="0.38287894"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01557"
                           xFract="-0.00184479"
                           y3="2.09378"
                           yFract="0.2480782"
                           z3="4.19179"
                           zFract="0.18864941"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10663"
                           xFract="0.24960071"
                           y3="-0.01377"
                           yFract="-0.00163152"
                           z3="8.56948"
                           zFract="0.38566517"/>
                     <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="-0.01818"
                           xFract="-0.00215403"
                           y3="2.10689"
                           yFract="0.24963152"
                           z3="6.21623"
                           zFract="0.27975833"/>
                     <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="2.12442"
                           xFract="0.25170853"
                           y3="-0.12135"
                           yFract="-0.01437796"
                           z3="6.41549"
                           zFract="0.28872592"/>
                     <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="0.09941"
                           xFract="0.01177844"
                           y3="-0.05554"
                           yFract="-0.00658057"
                           z3="4.24735"
                           zFract="0.19114986"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.02031"
                           xFract="-0.0024064"
                           y3="0.02413"
                           yFract="0.002859"
                           z3="8.59114"
                           zFract="0.38663996"/>
                     <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="2.16693"
                           xFract="0.25674526"
                           y3="2.23306"
                           yFract="0.26458057"
                           z3="4.21429"
                           zFract="0.18966202"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1373"
                           xFract="0.2532346"
                           y3="2.11865"
                           yFract="0.25102488"
                           z3="8.49109"
                           zFract="0.38213726"/>
                     <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="4.20259"
                           xFract="0.4979372"
                           y3="2.10411"
                           yFract="0.24930213"
                           z3="6.36642"
                           zFract="0.28651755"/>
                     <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="6.29112"
                           xFract="0.74539336"
                           y3="-0.00475"
                           yFract="-0.0005628"
                           z3="6.31394"
                           zFract="0.28415572"/>
                     <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="4.10865"
                           xFract="0.48680687"
                           y3="-0.15716"
                           yFract="-0.01862085"
                           z3="4.28055"
                           zFract="0.19264401"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.26194"
                           xFract="0.50496919"
                           y3="0.06936"
                           yFract="0.00821801"
                           z3="8.48544"
                           zFract="0.38188299"/>
                     <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="6.25059"
                           xFract="0.74059123"
                           y3="2.20496"
                           yFract="0.26125118"
                           z3="4.29128"
                           zFract="0.19312691"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30595"
                           xFract="0.74715047"
                           y3="2.13893"
                           yFract="0.25342773"
                           z3="8.45245"
                           zFract="0.38039829"/>
                     <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="-0.16593"
                           xFract="-0.01965995"
                           y3="6.34334"
                           yFract="0.75158057"
                           z3="6.19038"
                           zFract="0.27859496"/>
                     <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="2.13402"
                           xFract="0.25284597"
                           y3="4.34699"
                           yFract="0.51504621"
                           z3="6.36138"
                           zFract="0.28629073"/>
                     <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="-0.01491"
                           xFract="-0.00176659"
                           y3="4.3094"
                           yFract="0.51059242"
                           z3="4.24308"
                           zFract="0.1909577"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00526"
                           xFract="0.00062322"
                           y3="4.20556"
                           yFract="0.4982891"
                           z3="8.51629"
                           zFract="0.38327138"/>
                     <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="2.29406"
                           xFract="0.27180806"
                           y3="6.2632"
                           yFract="0.74208531"
                           z3="4.0974"
                           zFract="0.18440144"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17607"
                           xFract="0.2578282"
                           y3="6.31641"
                           yFract="0.74838981"
                           z3="8.69521"
                           zFract="0.39132358"/>
                     <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="4.35171"
                           xFract="0.51560545"
                           y3="6.32459"
                           yFract="0.749359"
                           z3="6.34109"
                           zFract="0.28537759"/>
                     <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="6.27038"
                           xFract="0.74293602"
                           y3="4.23631"
                           yFract="0.50193246"
                           z3="6.35174"
                           zFract="0.28585689"/>
                     <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="4.21858"
                           xFract="0.49983175"
                           y3="4.37265"
                           yFract="0.51808649"
                           z3="4.30417"
                           zFract="0.19370702"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23423"
                           xFract="0.50168602"
                           y3="4.14898"
                           yFract="0.49158531"
                           z3="8.40397"
                           zFract="0.37821647"/>
                     <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="6.10884"
                           xFract="0.72379621"
                           y3="6.32321"
                           yFract="0.7491955"
                           z3="4.29123"
                           zFract="0.19312466"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32458"
                           xFract="0.74935782"
                           y3="6.3003"
                           yFract="0.74648104"
                           z3="8.39786"
                           zFract="0.37794149"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.29">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.34801"
                           xFract="0.75213389"
                           y3="4.20467"
                           yFract="0.49818365"
                           z3="8.41395"
                           zFract="0.37866562"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30514"
                           xFract="0.7470545"
                           y3="6.33933"
                           yFract="0.75110545"
                           z3="6.33758"
                           zFract="0.28521962"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.19117"
                           xFract="0.49658412"
                           y3="6.32188"
                           yFract="0.74903791"
                           z3="4.21879"
                           zFract="0.18986454"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21451"
                           xFract="0.49934953"
                           y3="4.23499"
                           yFract="0.50177607"
                           z3="6.36031"
                           zFract="0.28624257"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.21175"
                           xFract="0.49902251"
                           y3="-0.01932"
                           yFract="-0.0022891"
                           z3="6.38381"
                           zFract="0.28730018"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23864"
                           xFract="0.50220853"
                           y3="2.12105"
                           yFract="0.25130924"
                           z3="8.43561"
                           zFract="0.37964041"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.3186"
                           xFract="0.74864929"
                           y3="4.26406"
                           yFract="0.50522038"
                           z3="4.20622"
                           zFract="0.18929883"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.32611"
                           xFract="0.7495391"
                           y3="2.09791"
                           yFract="0.24856754"
                           z3="6.36876"
                           zFract="0.28662286"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10693"
                           xFract="0.24963626"
                           y3="4.22677"
                           yFract="0.50080213"
                           z3="8.44766"
                           zFract="0.38018272"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10205"
                           xFract="0.24905806"
                           y3="4.25979"
                           yFract="0.50471445"
                           z3="4.26715"
                           zFract="0.19204095"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00446"
                           xFract="-0.00052844"
                           y3="6.36281"
                           yFract="0.75388744"
                           z3="4.20197"
                           zFract="0.18910756"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.09042"
                           xFract="0.24768009"
                           y3="-0.01377"
                           yFract="-0.00163152"
                           z3="4.26298"
                           zFract="0.19185329"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.05539"
                           xFract="0.24352962"
                           y3="6.3403"
                           yFract="0.75122038"
                           z3="6.39469"
                           zFract="0.28778983"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01041"
                           xFract="-0.00123341"
                           y3="2.1293"
                           yFract="0.25228673"
                           z3="8.66237"
                           zFract="0.38984563"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.0231"
                           xFract="0.00273697"
                           y3="6.3126"
                           yFract="0.74793839"
                           z3="8.66258"
                           zFract="0.38985509"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.36259"
                           xFract="0.75386137"
                           y3="0.02472"
                           yFract="0.00292891"
                           z3="4.2011"
                           zFract="0.18906841"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.06759"
                           xFract="0.24497512"
                           y3="2.06622"
                           yFract="0.2448128"
                           z3="6.37446"
                           zFract="0.28687939"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01768"
                           xFract="-0.00209479"
                           y3="-0.00752"
                           yFract="-0.000891"
                           z3="6.46667"
                           zFract="0.29102925"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22509"
                           xFract="0.50060308"
                           y3="6.3233"
                           yFract="0.74920616"
                           z3="8.50353"
                           zFract="0.38269712"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.02195"
                           xFract="-0.00260071"
                           y3="4.22977"
                           yFract="0.50115758"
                           z3="6.42232"
                           zFract="0.2890333"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21558"
                           xFract="0.4994763"
                           y3="2.08262"
                           yFract="0.24675592"
                           z3="4.21435"
                           zFract="0.18966472"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.35095"
                           xFract="0.75248223"
                           y3="0.01406"
                           yFract="0.00166588"
                           z3="8.50928"
                           zFract="0.3829559"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01568"
                           xFract="-0.00185782"
                           y3="2.09443"
                           yFract="0.24815521"
                           z3="4.19162"
                           zFract="0.18864176"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10656"
                           xFract="0.24959242"
                           y3="-0.01456"
                           yFract="-0.00172512"
                           z3="8.57256"
                           zFract="0.38580378"/>
                     <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="-0.01873"
                           xFract="-0.00221919"
                           y3="2.10685"
                           yFract="0.24962678"
                           z3="6.21695"
                           zFract="0.27979073"/>
                     <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="2.12407"
                           xFract="0.25166706"
                           y3="-0.12173"
                           yFract="-0.01442299"
                           z3="6.41854"
                           zFract="0.28886319"/>
                     <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="0.10136"
                           xFract="0.01200948"
                           y3="-0.05549"
                           yFract="-0.00657464"
                           z3="4.2471"
                           zFract="0.19113861"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.02095"
                           xFract="-0.00248223"
                           y3="0.02428"
                           yFract="0.00287678"
                           z3="8.59371"
                           zFract="0.38675563"/>
                     <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="2.16571"
                           xFract="0.25660071"
                           y3="2.23367"
                           yFract="0.26465284"
                           z3="4.21451"
                           zFract="0.18967192"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1374"
                           xFract="0.25324645"
                           y3="2.11856"
                           yFract="0.25101422"
                           z3="8.49349"
                           zFract="0.38224527"/>
                     <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="4.20287"
                           xFract="0.49797038"
                           y3="2.10472"
                           yFract="0.24937441"
                           z3="6.36894"
                           zFract="0.28663096"/>
                     <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="6.2907"
                           xFract="0.7453436"
                           y3="-0.00497"
                           yFract="-0.00058886"
                           z3="6.31495"
                           zFract="0.28420117"/>
                     <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="4.10595"
                           xFract="0.48648697"
                           y3="-0.15906"
                           yFract="-0.01884597"
                           z3="4.2827"
                           zFract="0.19274077"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.26261"
                           xFract="0.50504858"
                           y3="0.06984"
                           yFract="0.00827488"
                           z3="8.48612"
                           zFract="0.38191359"/>
                     <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="6.25062"
                           xFract="0.74059479"
                           y3="2.20554"
                           yFract="0.26131991"
                           z3="4.29053"
                           zFract="0.19309316"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30536"
                           xFract="0.74708057"
                           y3="2.13947"
                           yFract="0.25349171"
                           z3="8.4522"
                           zFract="0.38038704"/>
                     <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="-0.16583"
                           xFract="-0.0196481"
                           y3="6.34408"
                           yFract="0.75166825"
                           z3="6.18958"
                           zFract="0.27855896"/>
                     <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="2.13339"
                           xFract="0.25277133"
                           y3="4.34774"
                           yFract="0.51513507"
                           z3="6.3629"
                           zFract="0.28635914"/>
                     <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="-0.01517"
                           xFract="-0.00179739"
                           y3="4.31038"
                           yFract="0.51070853"
                           z3="4.24361"
                           zFract="0.19098155"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00545"
                           xFract="0.00064573"
                           y3="4.20606"
                           yFract="0.49834834"
                           z3="8.51755"
                           zFract="0.38332808"/>
                     <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="2.29406"
                           xFract="0.27180806"
                           y3="6.26391"
                           yFract="0.74216943"
                           z3="4.09648"
                           zFract="0.18436004"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17701"
                           xFract="0.25793957"
                           y3="6.31614"
                           yFract="0.74835782"
                           z3="8.70155"
                           zFract="0.39160891"/>
                     <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="4.35009"
                           xFract="0.51541351"
                           y3="6.32525"
                           yFract="0.7494372"
                           z3="6.34311"
                           zFract="0.2854685"/>
                     <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="6.26961"
                           xFract="0.74284479"
                           y3="4.23705"
                           yFract="0.50202014"
                           z3="6.35304"
                           zFract="0.28591539"/>
                     <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="4.21753"
                           xFract="0.49970735"
                           y3="4.37407"
                           yFract="0.51825474"
                           z3="4.30575"
                           zFract="0.19377813"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2339"
                           xFract="0.50164692"
                           y3="4.14875"
                           yFract="0.49155806"
                           z3="8.4043"
                           zFract="0.37823132"/>
                     <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="6.10753"
                           xFract="0.723641"
                           y3="6.32358"
                           yFract="0.74923934"
                           z3="4.29246"
                           zFract="0.19318002"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32508"
                           xFract="0.74941706"
                           y3="6.30013"
                           yFract="0.7464609"
                           z3="8.39857"
                           zFract="0.37797345"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.30">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.34827"
                           xFract="0.75216469"
                           y3="4.20575"
                           yFract="0.49831161"
                           z3="8.4170"
                           zFract="0.37880288"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30246"
                           xFract="0.74673697"
                           y3="6.34053"
                           yFract="0.75124763"
                           z3="6.3394"
                           zFract="0.28530153"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.19008"
                           xFract="0.49645498"
                           y3="6.32284"
                           yFract="0.74915166"
                           z3="4.22518"
                           zFract="0.19015212"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21445"
                           xFract="0.49934242"
                           y3="4.23585"
                           yFract="0.50187796"
                           z3="6.36298"
                           zFract="0.28636274"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.21087"
                           xFract="0.49891825"
                           y3="-0.02099"
                           yFract="-0.00248697"
                           z3="6.38796"
                           zFract="0.28748695"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23955"
                           xFract="0.50231635"
                           y3="2.12031"
                           yFract="0.25122156"
                           z3="8.44035"
                           zFract="0.37985374"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.31699"
                           xFract="0.74845853"
                           y3="4.26517"
                           yFract="0.5053519"
                           z3="4.20742"
                           zFract="0.18935284"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.32517"
                           xFract="0.74942773"
                           y3="2.09693"
                           yFract="0.24845142"
                           z3="6.36984"
                           zFract="0.28667147"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10648"
                           xFract="0.24958294"
                           y3="4.22686"
                           yFract="0.5008128"
                           z3="8.45248"
                           zFract="0.38039964"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.10026"
                           xFract="0.24884597"
                           y3="4.26144"
                           yFract="0.50490995"
                           z3="4.27064"
                           zFract="0.19219802"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.0046"
                           xFract="-0.00054502"
                           y3="6.36252"
                           yFract="0.75385308"
                           z3="4.20168"
                           zFract="0.18909451"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.08844"
                           xFract="0.2474455"
                           y3="-0.01615"
                           yFract="-0.00191351"
                           z3="4.26849"
                           zFract="0.19210126"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.05383"
                           xFract="0.24334479"
                           y3="6.34038"
                           yFract="0.75122986"
                           z3="6.40183"
                           zFract="0.28811116"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01113"
                           xFract="-0.00131872"
                           y3="2.12929"
                           yFract="0.25228555"
                           z3="8.6669"
                           zFract="0.3900495"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.02351"
                           xFract="0.00278555"
                           y3="6.31291"
                           yFract="0.74797512"
                           z3="8.67301"
                           zFract="0.39032448"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.36199"
                           xFract="0.75379028"
                           y3="0.02454"
                           yFract="0.00290758"
                           z3="4.20261"
                           zFract="0.18913636"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.06669"
                           xFract="0.24486848"
                           y3="2.06609"
                           yFract="0.24479739"
                           z3="6.37745"
                           zFract="0.28701395"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01786"
                           xFract="-0.00211611"
                           y3="-0.00792"
                           yFract="-0.00093839"
                           z3="6.47078"
                           zFract="0.29121422"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22501"
                           xFract="0.5005936"
                           y3="6.32177"
                           yFract="0.74902488"
                           z3="8.50815"
                           zFract="0.38290504"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.02279"
                           xFract="-0.00270024"
                           y3="4.23123"
                           yFract="0.50133057"
                           z3="6.42562"
                           zFract="0.28918182"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21567"
                           xFract="0.49948697"
                           y3="2.08322"
                           yFract="0.24682701"
                           z3="4.21412"
                           zFract="0.18965437"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.35115"
                           xFract="0.75250592"
                           y3="0.01451"
                           yFract="0.00171919"
                           z3="8.51324"
                           zFract="0.38313411"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01646"
                           xFract="-0.00195024"
                           y3="2.09567"
                           yFract="0.24830213"
                           z3="4.19019"
                           zFract="0.18857741"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10629"
                           xFract="0.24956043"
                           y3="-0.01636"
                           yFract="-0.00193839"
                           z3="8.57966"
                           zFract="0.38612331"/>
                     <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="-0.01893"
                           xFract="-0.00224289"
                           y3="2.10673"
                           yFract="0.24961256"
                           z3="6.21985"
                           zFract="0.27992124"/>
                     <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="2.12315"
                           xFract="0.25155806"
                           y3="-0.12199"
                           yFract="-0.01445379"
                           z3="6.42573"
                           zFract="0.28918677"/>
                     <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="0.10324"
                           xFract="0.01223223"
                           y3="-0.05707"
                           yFract="-0.00676185"
                           z3="4.24721"
                           zFract="0.19114356"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.02253"
                           xFract="-0.00266943"
                           y3="0.02495"
                           yFract="0.00295616"
                           z3="8.59923"
                           zFract="0.38700405"/>
                     <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="2.16407"
                           xFract="0.2564064"
                           y3="2.23378"
                           yFract="0.26466588"
                           z3="4.21615"
                           zFract="0.18974572"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13907"
                           xFract="0.25344431"
                           y3="2.11814"
                           yFract="0.25096445"
                           z3="8.49973"
                           zFract="0.3825261"/>
                     <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="4.20198"
                           xFract="0.49786493"
                           y3="2.10535"
                           yFract="0.24944905"
                           z3="6.37322"
                           zFract="0.28682358"/>
                     <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="6.28957"
                           xFract="0.74520972"
                           y3="-0.00509"
                           yFract="-0.00060308"
                           z3="6.31577"
                           zFract="0.28423807"/>
                     <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="4.10152"
                           xFract="0.48596209"
                           y3="-0.15817"
                           yFract="-0.01874052"
                           z3="4.28855"
                           zFract="0.19300405"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.26416"
                           xFract="0.50523223"
                           y3="0.07122"
                           yFract="0.00843839"
                           z3="8.48938"
                           zFract="0.38206031"/>
                     <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="6.2507"
                           xFract="0.74060427"
                           y3="2.20601"
                           yFract="0.26137559"
                           z3="4.29042"
                           zFract="0.19308821"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30329"
                           xFract="0.74683531"
                           y3="2.14114"
                           yFract="0.25368957"
                           z3="8.4522"
                           zFract="0.38038704"/>
                     <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="-0.16509"
                           xFract="-0.01956043"
                           y3="6.34553"
                           yFract="0.75184005"
                           z3="6.18999"
                           zFract="0.27857741"/>
                     <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="2.13212"
                           xFract="0.25262085"
                           y3="4.34963"
                           yFract="0.515359"
                           z3="6.3678"
                           zFract="0.28657966"/>
                     <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="-0.01548"
                           xFract="-0.00183412"
                           y3="4.31367"
                           yFract="0.51109834"
                           z3="4.24507"
                           zFract="0.19104725"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00539"
                           xFract="0.00063863"
                           y3="4.20692"
                           yFract="0.49845024"
                           z3="8.52015"
                           zFract="0.38344509"/>
                     <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="2.2917"
                           xFract="0.27152844"
                           y3="6.26675"
                           yFract="0.74250592"
                           z3="4.0938"
                           zFract="0.18423942"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.17991"
                           xFract="0.25828318"
                           y3="6.31571"
                           yFract="0.74830687"
                           z3="8.71716"
                           zFract="0.39231143"/>
                     <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="4.34315"
                           xFract="0.51459123"
                           y3="6.32807"
                           yFract="0.74977133"
                           z3="6.34939"
                           zFract="0.28575113"/>
                     <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="6.26822"
                           xFract="0.74268009"
                           y3="4.23786"
                           yFract="0.50211611"
                           z3="6.35611"
                           zFract="0.28605356"/>
                     <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="4.21506"
                           xFract="0.49941469"
                           y3="4.37286"
                           yFract="0.51811137"
                           z3="4.31285"
                           zFract="0.19409766"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23318"
                           xFract="0.50156161"
                           y3="4.14875"
                           yFract="0.49155806"
                           z3="8.40508"
                           zFract="0.37826643"/>
                     <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="6.10587"
                           xFract="0.72344431"
                           y3="6.32718"
                           yFract="0.74966588"
                           z3="4.29362"
                           zFract="0.19323222"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32498"
                           xFract="0.74940521"
                           y3="6.30014"
                           yFract="0.74646209"
                           z3="8.40146"
                           zFract="0.37810351"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.31">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="Ni"
                           id="a1"
                           x3="6.34852"
                           xFract="0.75219431"
                           y3="4.20681"
                           yFract="0.4984372"
                           z3="8.4200"
                           zFract="0.37893789"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.29983"
                           xFract="0.74642536"
                           y3="6.34171"
                           yFract="0.75138744"
                           z3="6.34119"
                           zFract="0.28538209"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.18902"
                           xFract="0.49632938"
                           y3="6.32377"
                           yFract="0.74926185"
                           z3="4.23145"
                           zFract="0.19043429"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21438"
                           xFract="0.49933412"
                           y3="4.23671"
                           yFract="0.50197986"
                           z3="6.36559"
                           zFract="0.2864802"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.21001"
                           xFract="0.49881635"
                           y3="-0.02262"
                           yFract="-0.00268009"
                           z3="6.39204"
                           zFract="0.28767057"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.24043"
                           xFract="0.50242062"
                           y3="2.11957"
                           yFract="0.25113389"
                           z3="8.44501"
                           zFract="0.38006346"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.31542"
                           xFract="0.74827251"
                           y3="4.26626"
                           yFract="0.50548104"
                           z3="4.2086"
                           zFract="0.18940594"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.32425"
                           xFract="0.74931872"
                           y3="2.09597"
                           yFract="0.24833768"
                           z3="6.3709"
                           zFract="0.28671917"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10604"
                           xFract="0.24953081"
                           y3="4.22695"
                           yFract="0.50082346"
                           z3="8.45721"
                           zFract="0.38061251"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.0985"
                           xFract="0.24863744"
                           y3="4.26306"
                           yFract="0.5051019"
                           z3="4.27406"
                           zFract="0.19235194"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00474"
                           xFract="-0.00056161"
                           y3="6.36223"
                           yFract="0.75381872"
                           z3="4.20138"
                           zFract="0.18908101"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.08651"
                           xFract="0.24721682"
                           y3="-0.01848"
                           yFract="-0.00218957"
                           z3="4.27389"
                           zFract="0.19234428"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.0523"
                           xFract="0.24316351"
                           y3="6.34045"
                           yFract="0.75123815"
                           z3="6.40883"
                           zFract="0.28842619"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01185"
                           xFract="-0.00140403"
                           y3="2.12927"
                           yFract="0.25228318"
                           z3="8.67135"
                           zFract="0.39024977"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.02392"
                           xFract="0.00283412"
                           y3="6.31321"
                           yFract="0.74801066"
                           z3="8.68323"
                           zFract="0.39078443"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.36141"
                           xFract="0.75372156"
                           y3="0.02437"
                           yFract="0.00288744"
                           z3="4.20409"
                           zFract="0.18920297"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.06581"
                           xFract="0.24476422"
                           y3="2.06597"
                           yFract="0.24478318"
                           z3="6.38039"
                           zFract="0.28714626"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01803"
                           xFract="-0.00213626"
                           y3="-0.00832"
                           yFract="-0.00098578"
                           z3="6.47482"
                           zFract="0.29139604"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22493"
                           xFract="0.50058412"
                           y3="6.32027"
                           yFract="0.74884716"
                           z3="8.51268"
                           zFract="0.38310891"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.02361"
                           xFract="-0.00279739"
                           y3="4.23267"
                           yFract="0.50150118"
                           z3="6.42886"
                           zFract="0.28932763"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21577"
                           xFract="0.49949882"
                           y3="2.08382"
                           yFract="0.2468981"
                           z3="4.21389"
                           zFract="0.18964401"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.35134"
                           xFract="0.75252844"
                           y3="0.01495"
                           yFract="0.00177133"
                           z3="8.51711"
                           zFract="0.38330828"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01723"
                           xFract="-0.00204147"
                           y3="2.09689"
                           yFract="0.24844668"
                           z3="4.18879"
                           zFract="0.1885144"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10603"
                           xFract="0.24952962"
                           y3="-0.01812"
                           yFract="-0.00214692"
                           z3="8.58663"
                           zFract="0.38643699"/>
                     <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="-0.01912"
                           xFract="-0.0022654"
                           y3="2.10662"
                           yFract="0.24959953"
                           z3="6.2227"
                           zFract="0.2800495"/>
                     <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="2.12224"
                           xFract="0.25145024"
                           y3="-0.12224"
                           yFract="-0.01448341"
                           z3="6.43278"
                           zFract="0.28950405"/>
                     <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="0.10509"
                           xFract="0.01245142"
                           y3="-0.05861"
                           yFract="-0.00694431"
                           z3="4.24732"
                           zFract="0.19114851"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.02409"
                           xFract="-0.00285427"
                           y3="0.0256"
                           yFract="0.00303318"
                           z3="8.60464"
                           zFract="0.38724752"/>
                     <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="2.16247"
                           xFract="0.25621682"
                           y3="2.23389"
                           yFract="0.26467891"
                           z3="4.21776"
                           zFract="0.18981818"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1407"
                           xFract="0.25363744"
                           y3="2.11773"
                           yFract="0.25091588"
                           z3="8.50585"
                           zFract="0.38280153"/>
                     <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="4.20112"
                           xFract="0.49776303"
                           y3="2.10597"
                           yFract="0.24952251"
                           z3="6.37742"
                           zFract="0.2870126"/>
                     <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="6.28847"
                           xFract="0.74507938"
                           y3="-0.00521"
                           yFract="-0.0006173"
                           z3="6.31658"
                           zFract="0.28427453"/>
                     <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="4.09716"
                           xFract="0.4854455"
                           y3="-0.1573"
                           yFract="-0.01863744"
                           z3="4.29429"
                           zFract="0.19326238"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.26568"
                           xFract="0.50541232"
                           y3="0.07258"
                           yFract="0.00859953"
                           z3="8.49257"
                           zFract="0.38220387"/>
                     <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="6.25078"
                           xFract="0.74061374"
                           y3="2.20647"
                           yFract="0.26143009"
                           z3="4.29031"
                           zFract="0.19308326"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30125"
                           xFract="0.7465936"
                           y3="2.14278"
                           yFract="0.25388389"
                           z3="8.45221"
                           zFract="0.38038749"/>
                     <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="-0.16436"
                           xFract="-0.01947393"
                           y3="6.34696"
                           yFract="0.75200948"
                           z3="6.19039"
                           zFract="0.27859541"/>
                     <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="2.13087"
                           xFract="0.25247275"
                           y3="4.35148"
                           yFract="0.5155782"
                           z3="6.3726"
                           zFract="0.28679568"/>
                     <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="-0.01578"
                           xFract="-0.00186967"
                           y3="4.3169"
                           yFract="0.51148104"
                           z3="4.2465"
                           zFract="0.19111161"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00534"
                           xFract="0.0006327"
                           y3="4.20777"
                           yFract="0.49855095"
                           z3="8.5227"
                           zFract="0.38355986"/>
                     <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="2.28939"
                           xFract="0.27125474"
                           y3="6.26954"
                           yFract="0.74283649"
                           z3="4.09117"
                           zFract="0.18412106"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.18276"
                           xFract="0.25862085"
                           y3="6.31528"
                           yFract="0.74825592"
                           z3="8.73248"
                           zFract="0.3930009"/>
                     <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="4.33635"
                           xFract="0.51378555"
                           y3="6.33084"
                           yFract="0.75009953"
                           z3="6.35556"
                           zFract="0.2860288"/>
                     <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="6.26685"
                           xFract="0.74251777"
                           y3="4.23866"
                           yFract="0.5022109"
                           z3="6.35912"
                           zFract="0.28618902"/>
                     <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="4.21263"
                           xFract="0.49912678"
                           y3="4.37166"
                           yFract="0.51796919"
                           z3="4.31981"
                           zFract="0.19441089"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23248"
                           xFract="0.50147867"
                           y3="4.14875"
                           yFract="0.49155806"
                           z3="8.40585"
                           zFract="0.37830108"/>
                     <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="6.10424"
                           xFract="0.72325118"
                           y3="6.33072"
                           yFract="0.75008531"
                           z3="4.29476"
                           zFract="0.19328353"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32489"
                           xFract="0.74939455"
                           y3="6.30016"
                           yFract="0.74646445"
                           z3="8.40429"
                           zFract="0.37823087"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.32">
                  <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="6.34888"
                           xFract="0.75223697"
                           y3="4.20684"
                           yFract="0.49844076"
                           z3="8.42175"
                           zFract="0.37901665"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.29998"
                           xFract="0.74644313"
                           y3="6.34278"
                           yFract="0.75151422"
                           z3="6.34131"
                           zFract="0.28538749"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.18903"
                           xFract="0.49633057"
                           y3="6.31995"
                           yFract="0.74880924"
                           z3="4.23352"
                           zFract="0.19052745"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21135"
                           xFract="0.49897512"
                           y3="4.23657"
                           yFract="0.50196327"
                           z3="6.3653"
                           zFract="0.28646715"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.21044"
                           xFract="0.4988673"
                           y3="-0.01979"
                           yFract="-0.00234479"
                           z3="6.39362"
                           zFract="0.28774167"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23788"
                           xFract="0.50211848"
                           y3="2.11877"
                           yFract="0.2510391"
                           z3="8.44829"
                           zFract="0.38021107"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.31486"
                           xFract="0.74820616"
                           y3="4.26645"
                           yFract="0.50550355"
                           z3="4.20914"
                           zFract="0.18943024"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.32567"
                           xFract="0.74948697"
                           y3="2.0959"
                           yFract="0.24832938"
                           z3="6.37175"
                           zFract="0.28675743"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10557"
                           xFract="0.24947512"
                           y3="4.22691"
                           yFract="0.50081872"
                           z3="8.45906"
                           zFract="0.38069577"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09934"
                           xFract="0.24873697"
                           y3="4.26559"
                           yFract="0.50540166"
                           z3="4.27439"
                           zFract="0.19236679"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00467"
                           xFract="-0.00055332"
                           y3="6.36456"
                           yFract="0.75409479"
                           z3="4.20011"
                           zFract="0.18902385"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.08612"
                           xFract="0.24717062"
                           y3="-0.01844"
                           yFract="-0.00218483"
                           z3="4.27358"
                           zFract="0.19233033"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.05203"
                           xFract="0.24313152"
                           y3="6.3419"
                           yFract="0.75140995"
                           z3="6.41024"
                           zFract="0.28848965"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01179"
                           xFract="-0.00139692"
                           y3="2.13014"
                           yFract="0.25238626"
                           z3="8.67288"
                           zFract="0.39031863"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.02381"
                           xFract="0.00282109"
                           y3="6.3131"
                           yFract="0.74799763"
                           z3="8.68547"
                           zFract="0.39088524"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.36079"
                           xFract="0.7536481"
                           y3="0.02412"
                           yFract="0.00285782"
                           z3="4.20481"
                           zFract="0.18923537"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.0660"
                           xFract="0.24478673"
                           y3="2.06635"
                           yFract="0.2448282"
                           z3="6.38383"
                           zFract="0.28730108"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01821"
                           xFract="-0.00215758"
                           y3="-0.00866"
                           yFract="-0.00102607"
                           z3="6.47446"
                           zFract="0.29137984"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22464"
                           xFract="0.50054976"
                           y3="6.32128"
                           yFract="0.74896682"
                           z3="8.5154"
                           zFract="0.38323132"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.02384"
                           xFract="-0.00282464"
                           y3="4.23272"
                           yFract="0.50150711"
                           z3="6.43005"
                           zFract="0.28938119"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21312"
                           xFract="0.49918483"
                           y3="2.08371"
                           yFract="0.24688507"
                           z3="4.21525"
                           zFract="0.18970522"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.35018"
                           xFract="0.752391"
                           y3="0.01389"
                           yFract="0.00164573"
                           z3="8.51768"
                           zFract="0.38333393"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01747"
                           xFract="-0.00206991"
                           y3="2.09601"
                           yFract="0.24834242"
                           z3="4.19093"
                           zFract="0.18861071"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10622"
                           xFract="0.24955213"
                           y3="-0.01793"
                           yFract="-0.00212441"
                           z3="8.5883"
                           zFract="0.38651215"/>
                     <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="-0.0181"
                           xFract="-0.00214455"
                           y3="2.10676"
                           yFract="0.24961611"
                           z3="6.22252"
                           zFract="0.2800414"/>
                     <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="2.12131"
                           xFract="0.25134005"
                           y3="-0.12171"
                           yFract="-0.01442062"
                           z3="6.43581"
                           zFract="0.28964041"/>
                     <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="0.1009"
                           xFract="0.01195498"
                           y3="-0.05967"
                           yFract="-0.00706991"
                           z3="4.24791"
                           zFract="0.19117507"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.02465"
                           xFract="-0.00292062"
                           y3="0.02592"
                           yFract="0.00307109"
                           z3="8.60579"
                           zFract="0.38729928"/>
                     <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="2.16396"
                           xFract="0.25639336"
                           y3="2.23224"
                           yFract="0.26448341"
                           z3="4.21943"
                           zFract="0.18989334"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14242"
                           xFract="0.25384123"
                           y3="2.11699"
                           yFract="0.2508282"
                           z3="8.50739"
                           zFract="0.38287084"/>
                     <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="4.19836"
                           xFract="0.49743602"
                           y3="2.10509"
                           yFract="0.24941825"
                           z3="6.37542"
                           zFract="0.28692259"/>
                     <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="6.28849"
                           xFract="0.74508175"
                           y3="-0.00487"
                           yFract="-0.00057701"
                           z3="6.31542"
                           zFract="0.28422232"/>
                     <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="4.0993"
                           xFract="0.48569905"
                           y3="-0.15068"
                           yFract="-0.01785308"
                           z3="4.29531"
                           zFract="0.19330828"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.26613"
                           xFract="0.50546564"
                           y3="0.0727"
                           yFract="0.00861374"
                           z3="8.49569"
                           zFract="0.38234428"/>
                     <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="6.25102"
                           xFract="0.74064218"
                           y3="2.20499"
                           yFract="0.26125474"
                           z3="4.29366"
                           zFract="0.19323402"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30117"
                           xFract="0.74658412"
                           y3="2.14324"
                           yFract="0.25393839"
                           z3="8.45457"
                           zFract="0.3804937"/>
                     <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="-0.16402"
                           xFract="-0.01943365"
                           y3="6.34642"
                           yFract="0.7519455"
                           z3="6.19332"
                           zFract="0.27872727"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.13073"
                           xFract="0.25245616"
                           y3="4.35149"
                           yFract="0.51557938"
                           z3="6.37443"
                           zFract="0.28687804"/>
                     <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="-0.01658"
                           xFract="-0.00196445"
                           y3="4.31687"
                           yFract="0.51147749"
                           z3="4.24715"
                           zFract="0.19114086"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00453"
                           xFract="0.00053673"
                           y3="4.2074"
                           yFract="0.49850711"
                           z3="8.5239"
                           zFract="0.38361386"/>
                     <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="2.28844"
                           xFract="0.27114218"
                           y3="6.2692"
                           yFract="0.74279621"
                           z3="4.09093"
                           zFract="0.18411026"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.18313"
                           xFract="0.25866469"
                           y3="6.31584"
                           yFract="0.74832227"
                           z3="8.73737"
                           zFract="0.39322097"/>
                     <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="4.33303"
                           xFract="0.51339218"
                           y3="6.33098"
                           yFract="0.75011611"
                           z3="6.35796"
                           zFract="0.28613681"/>
                     <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="6.26773"
                           xFract="0.74262204"
                           y3="4.23854"
                           yFract="0.50219668"
                           z3="6.35827"
                           zFract="0.28615077"/>
                     <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="4.21373"
                           xFract="0.49925711"
                           y3="4.36827"
                           yFract="0.51756754"
                           z3="4.32404"
                           zFract="0.19460126"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23319"
                           xFract="0.5015628"
                           y3="4.14863"
                           yFract="0.49154384"
                           z3="8.40691"
                           zFract="0.37834878"/>
                     <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="6.10487"
                           xFract="0.72332583"
                           y3="6.33253"
                           yFract="0.75029976"
                           z3="4.29427"
                           zFract="0.19326148"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32315"
                           xFract="0.74918839"
                           y3="6.30083"
                           yFract="0.74654384"
                           z3="8.40638"
                           zFract="0.37832493"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.33">
                  <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="6.34913"
                           xFract="0.75226659"
                           y3="4.20687"
                           yFract="0.49844431"
                           z3="8.4230"
                           zFract="0.37907291"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.30009"
                           xFract="0.74645616"
                           y3="6.34355"
                           yFract="0.75160545"
                           z3="6.3414"
                           zFract="0.28539154"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.18904"
                           xFract="0.49633175"
                           y3="6.31721"
                           yFract="0.7484846"
                           z3="4.2350"
                           zFract="0.19059406"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20919"
                           xFract="0.49871919"
                           y3="4.23648"
                           yFract="0.50195261"
                           z3="6.3651"
                           zFract="0.28645815"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.21076"
                           xFract="0.49890521"
                           y3="-0.01776"
                           yFract="-0.00210427"
                           z3="6.39476"
                           zFract="0.28779298"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.23606"
                           xFract="0.50190284"
                           y3="2.11819"
                           yFract="0.25097038"
                           z3="8.45064"
                           zFract="0.38031683"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.31447"
                           xFract="0.74815995"
                           y3="4.26659"
                           yFract="0.50552014"
                           z3="4.20952"
                           zFract="0.18944734"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.32668"
                           xFract="0.74960664"
                           y3="2.09585"
                           yFract="0.24832346"
                           z3="6.37235"
                           zFract="0.28678443"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10524"
                           xFract="0.24943602"
                           y3="4.22688"
                           yFract="0.50081517"
                           z3="8.46038"
                           zFract="0.38075518"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09994"
                           xFract="0.24880806"
                           y3="4.2674"
                           yFract="0.50561611"
                           z3="4.27462"
                           zFract="0.19237714"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.00462"
                           xFract="-0.00054739"
                           y3="6.36623"
                           yFract="0.75429265"
                           z3="4.19919"
                           zFract="0.18898245"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.08585"
                           xFract="0.24713863"
                           y3="-0.01841"
                           yFract="-0.00218128"
                           z3="4.27336"
                           zFract="0.19232043"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.05183"
                           xFract="0.24310782"
                           y3="6.34293"
                           yFract="0.75153199"
                           z3="6.41125"
                           zFract="0.2885351"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01174"
                           xFract="-0.001391"
                           y3="2.13076"
                           yFract="0.25245972"
                           z3="8.67398"
                           zFract="0.39036814"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.02373"
                           xFract="0.00281161"
                           y3="6.31302"
                           yFract="0.74798815"
                           z3="8.68707"
                           zFract="0.39095725"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.36035"
                           xFract="0.75359597"
                           y3="0.02393"
                           yFract="0.00283531"
                           z3="4.20532"
                           zFract="0.18925833"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.06614"
                           xFract="0.24480332"
                           y3="2.06662"
                           yFract="0.24486019"
                           z3="6.38629"
                           zFract="0.28741179"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01834"
                           xFract="-0.00217299"
                           y3="-0.0089"
                           yFract="-0.0010545"
                           z3="6.47421"
                           zFract="0.29136859"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22443"
                           xFract="0.50052488"
                           y3="6.3220"
                           yFract="0.74905213"
                           z3="8.51734"
                           zFract="0.38331863"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.02401"
                           xFract="-0.00284479"
                           y3="4.23275"
                           yFract="0.50151066"
                           z3="6.4309"
                           zFract="0.28941944"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21122"
                           xFract="0.49895972"
                           y3="2.08363"
                           yFract="0.24687559"
                           z3="4.21622"
                           zFract="0.18974887"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34936"
                           xFract="0.75229384"
                           y3="0.01314"
                           yFract="0.00155687"
                           z3="8.51808"
                           zFract="0.38335194"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01764"
                           xFract="-0.00209005"
                           y3="2.09539"
                           yFract="0.24826896"
                           z3="4.19247"
                           zFract="0.18868002"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10635"
                           xFract="0.24956754"
                           y3="-0.01779"
                           yFract="-0.00210782"
                           z3="8.58949"
                           zFract="0.38656571"/>
                     <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="-0.01737"
                           xFract="-0.00205806"
                           y3="2.10686"
                           yFract="0.24962796"
                           z3="6.22239"
                           zFract="0.28003555"/>
                     <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="2.12065"
                           xFract="0.25126185"
                           y3="-0.12134"
                           yFract="-0.01437678"
                           z3="6.43797"
                           zFract="0.28973762"/>
                     <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="0.0979"
                           xFract="0.01159953"
                           y3="-0.06042"
                           yFract="-0.00715877"
                           z3="4.24834"
                           zFract="0.19119442"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.02506"
                           xFract="-0.00296919"
                           y3="0.02615"
                           yFract="0.00309834"
                           z3="8.60662"
                           zFract="0.38733663"/>
                     <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="2.16503"
                           xFract="0.25652014"
                           y3="2.23105"
                           yFract="0.26434242"
                           z3="4.22062"
                           zFract="0.18994689"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14364"
                           xFract="0.25398578"
                           y3="2.11646"
                           yFract="0.2507654"
                           z3="8.5085"
                           zFract="0.38292079"/>
                     <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="4.19639"
                           xFract="0.49720261"
                           y3="2.10446"
                           yFract="0.2493436"
                           z3="6.37399"
                           zFract="0.28685824"/>
                     <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="6.28851"
                           xFract="0.74508412"
                           y3="-0.00462"
                           yFract="-0.00054739"
                           z3="6.31459"
                           zFract="0.28418497"/>
                     <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="4.10083"
                           xFract="0.48588033"
                           y3="-0.14596"
                           yFract="-0.01729384"
                           z3="4.29604"
                           zFract="0.19334113"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.26645"
                           xFract="0.50550355"
                           y3="0.0728"
                           yFract="0.00862559"
                           z3="8.49793"
                           zFract="0.38244509"/>
                     <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="6.25119"
                           xFract="0.74066232"
                           y3="2.20393"
                           yFract="0.26112915"
                           z3="4.29606"
                           zFract="0.19334203"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30111"
                           xFract="0.74657701"
                           y3="2.14356"
                           yFract="0.2539763"
                           z3="8.45625"
                           zFract="0.38056931"/>
                     <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="-0.16377"
                           xFract="-0.01940403"
                           y3="6.34604"
                           yFract="0.75190047"
                           z3="6.19541"
                           zFract="0.27882133"/>
                     <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="2.13064"
                           xFract="0.2524455"
                           y3="4.3515"
                           yFract="0.51558057"
                           z3="6.37574"
                           zFract="0.28693699"/>
                     <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="-0.01715"
                           xFract="-0.00203199"
                           y3="4.31684"
                           yFract="0.51147393"
                           z3="4.24762"
                           zFract="0.19116202"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00396"
                           xFract="0.00046919"
                           y3="4.20713"
                           yFract="0.49847512"
                           z3="8.52475"
                           zFract="0.38365212"/>
                     <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="2.28776"
                           xFract="0.27106161"
                           y3="6.26896"
                           yFract="0.74276777"
                           z3="4.09077"
                           zFract="0.18410306"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.18339"
                           xFract="0.2586955"
                           y3="6.31625"
                           yFract="0.74837085"
                           z3="8.74086"
                           zFract="0.39337804"/>
                     <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="4.33067"
                           xFract="0.51311256"
                           y3="6.33109"
                           yFract="0.75012915"
                           z3="6.35967"
                           zFract="0.28621377"/>
                     <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="6.26836"
                           xFract="0.74269668"
                           y3="4.23845"
                           yFract="0.50218602"
                           z3="6.35766"
                           zFract="0.28612331"/>
                     <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="4.21451"
                           xFract="0.49934953"
                           y3="4.36585"
                           yFract="0.51728081"
                           z3="4.32707"
                           zFract="0.19473762"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2337"
                           xFract="0.50162322"
                           y3="4.14854"
                           yFract="0.49153318"
                           z3="8.40767"
                           zFract="0.37838299"/>
                     <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="6.10532"
                           xFract="0.72337915"
                           y3="6.33383"
                           yFract="0.75045379"
                           z3="4.29392"
                           zFract="0.19324572"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32191"
                           xFract="0.74904147"
                           y3="6.30131"
                           yFract="0.74660071"
                           z3="8.40787"
                           zFract="0.37839199"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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.34">
                  <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="6.34813"
                           xFract="0.7521481"
                           y3="4.20665"
                           yFract="0.49841825"
                           z3="8.42307"
                           zFract="0.37907606"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.29891"
                           xFract="0.74631635"
                           y3="6.34323"
                           yFract="0.75156754"
                           z3="6.3427"
                           zFract="0.28545005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.18981"
                           xFract="0.49642299"
                           y3="6.32136"
                           yFract="0.7489763"
                           z3="4.23529"
                           zFract="0.19060711"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20935"
                           xFract="0.49873815"
                           y3="4.23546"
                           yFract="0.50183175"
                           z3="6.36783"
                           zFract="0.28658101"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.21074"
                           xFract="0.49890284"
                           y3="-0.01511"
                           yFract="-0.00179028"
                           z3="6.39524"
                           zFract="0.28781458"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2356"
                           xFract="0.50184834"
                           y3="2.11877"
                           yFract="0.2510391"
                           z3="8.45184"
                           zFract="0.38037084"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="6.31548"
                           xFract="0.74827962"
                           y3="4.26539"
                           yFract="0.50537796"
                           z3="4.21027"
                           zFract="0.1894811"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="6.32722"
                           xFract="0.74967062"
                           y3="2.09689"
                           yFract="0.24844668"
                           z3="6.37446"
                           zFract="0.28687939"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10524"
                           xFract="0.24943602"
                           y3="4.22781"
                           yFract="0.50092536"
                           z3="8.46216"
                           zFract="0.38083528"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="2.09976"
                           xFract="0.24878673"
                           y3="4.26602"
                           yFract="0.50545261"
                           z3="4.2746"
                           zFract="0.19237624"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="-0.0051"
                           xFract="-0.00060427"
                           y3="6.36583"
                           yFract="0.75424526"
                           z3="4.2004"
                           zFract="0.1890369"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="2.08565"
                           xFract="0.24711493"
                           y3="-0.01751"
                           yFract="-0.00207464"
                           z3="4.27222"
                           zFract="0.19226913"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.05172"
                           xFract="0.24309479"
                           y3="6.34382"
                           yFract="0.75163744"
                           z3="6.41188"
                           zFract="0.28856346"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.01213"
                           xFract="-0.0014372"
                           y3="2.13082"
                           yFract="0.25246682"
                           z3="8.67519"
                           zFract="0.39042259"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <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="0.02351"
                           xFract="0.00278555"
                           y3="6.31336"
                           yFract="0.74802844"
                           z3="8.68722"
                           zFract="0.390964"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3584"
                           xFract="0.75336493"
                           y3="0.02463"
                           yFract="0.00291825"
                           z3="4.20533"
                           zFract="0.18925878"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.06589"
                           xFract="0.2447737"
                           y3="2.06683"
                           yFract="0.24488507"
                           z3="6.38881"
                           zFract="0.2875252"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01819"
                           xFract="-0.00215521"
                           y3="-0.00911"
                           yFract="-0.00107938"
                           z3="6.47404"
                           zFract="0.29136094"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22372"
                           xFract="0.50044076"
                           y3="6.32315"
                           yFract="0.74918839"
                           z3="8.51996"
                           zFract="0.38343654"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="-0.02435"
                           xFract="-0.00288507"
                           y3="4.23259"
                           yFract="0.50149171"
                           z3="6.43084"
                           zFract="0.28941674"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.21069"
                           xFract="0.49889692"
                           y3="2.08273"
                           yFract="0.24676896"
                           z3="4.21747"
                           zFract="0.18980513"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34898"
                           xFract="0.75224882"
                           y3="0.01232"
                           yFract="0.00145972"
                           z3="8.51835"
                           zFract="0.38336409"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01741"
                           xFract="-0.0020628"
                           y3="2.09512"
                           yFract="0.24823697"
                           z3="4.19378"
                           zFract="0.18873897"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.10571"
                           xFract="0.24949171"
                           y3="-0.01805"
                           yFract="-0.00213863"
                           z3="8.59031"
                           zFract="0.38660261"/>
                     <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="-0.01561"
                           xFract="-0.00184953"
                           y3="2.10667"
                           yFract="0.24960545"
                           z3="6.22332"
                           zFract="0.28007741"/>
                     <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="2.12009"
                           xFract="0.2511955"
                           y3="-0.1204"
                           yFract="-0.0142654"
                           z3="6.43962"
                           zFract="0.28981188"/>
                     <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="0.09376"
                           xFract="0.011109"
                           y3="-0.0605"
                           yFract="-0.00716825"
                           z3="4.24877"
                           zFract="0.19121377"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.02587"
                           xFract="-0.00306517"
                           y3="0.02691"
                           yFract="0.00318839"
                           z3="8.60642"
                           zFract="0.38732763"/>
                     <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="2.16403"
                           xFract="0.25640166"
                           y3="2.23053"
                           yFract="0.26428081"
                           z3="4.2213"
                           zFract="0.1899775"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14451"
                           xFract="0.25408886"
                           y3="2.11652"
                           yFract="0.25077251"
                           z3="8.51033"
                           zFract="0.38300315"/>
                     <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="4.19481"
                           xFract="0.4970154"
                           y3="2.10386"
                           yFract="0.24927251"
                           z3="6.37438"
                           zFract="0.28687579"/>
                     <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="6.28874"
                           xFract="0.74511137"
                           y3="-0.0046"
                           yFract="-0.00054502"
                           z3="6.31475"
                           zFract="0.28419217"/>
                     <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="4.10392"
                           xFract="0.48624645"
                           y3="-0.14402"
                           yFract="-0.01706398"
                           z3="4.29588"
                           zFract="0.19333393"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.26615"
                           xFract="0.50546801"
                           y3="0.07318"
                           yFract="0.00867062"
                           z3="8.50086"
                           zFract="0.38257696"/>
                     <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="6.25128"
                           xFract="0.74067299"
                           y3="2.20246"
                           yFract="0.26095498"
                           z3="4.29833"
                           zFract="0.19344419"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30041"
                           xFract="0.74649408"
                           y3="2.14312"
                           yFract="0.25392417"
                           z3="8.45829"
                           zFract="0.38066112"/>
                     <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="-0.16272"
                           xFract="-0.01927962"
                           y3="6.3459"
                           yFract="0.75188389"
                           z3="6.19757"
                           zFract="0.27891854"/>
                     <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="2.12963"
                           xFract="0.25232583"
                           y3="4.3522"
                           yFract="0.51566351"
                           z3="6.37682"
                           zFract="0.2869856"/>
                     <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="-0.01706"
                           xFract="-0.00202133"
                           y3="4.31715"
                           yFract="0.51151066"
                           z3="4.24765"
                           zFract="0.19116337"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00379"
                           xFract="0.00044905"
                           y3="4.20643"
                           yFract="0.49839218"
                           z3="8.52616"
                           zFract="0.38371557"/>
                     <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="2.28865"
                           xFract="0.27116706"
                           y3="6.26941"
                           yFract="0.74282109"
                           z3="4.09148"
                           zFract="0.18413501"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.18309"
                           xFract="0.25865995"
                           y3="6.31673"
                           yFract="0.74842773"
                           z3="8.74361"
                           zFract="0.3935018"/>
                     <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="4.32923"
                           xFract="0.51294194"
                           y3="6.33124"
                           yFract="0.75014692"
                           z3="6.3598"
                           zFract="0.28621962"/>
                     <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="6.26831"
                           xFract="0.74269076"
                           y3="4.23904"
                           yFract="0.50225592"
                           z3="6.35764"
                           zFract="0.28612241"/>
                     <atom elementType="O"
                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.21512"
                           xFract="0.4994218"
                           y3="4.36227"
                           yFract="0.51685664"
                           z3="4.32997"
                           zFract="0.19486814"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23371"
                           xFract="0.50162441"
                           y3="4.14747"
                           yFract="0.4914064"
                           z3="8.40802"
                           zFract="0.37839874"/>
                     <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="6.10533"
                           xFract="0.72338033"
                           y3="6.33281"
                           yFract="0.75033294"
                           z3="4.29331"
                           zFract="0.19321827"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32003"
                           xFract="0.74881872"
                           y3="6.30182"
                           yFract="0.74666114"
                           z3="8.40956"
                           zFract="0.37846805"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a77" order="S"/>
                     <bond atomRefs2="a1 a80" order="S"/>
                     <bond atomRefs2="a1 a74" order="S"/>
                     <bond atomRefs2="a1 a60" order="S"/>
                     <bond atomRefs2="a2 a71" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a68" order="S"/>
                     <bond atomRefs2="a3 a68" order="S"/>
                     <bond atomRefs2="a3 a63" order="S"/>
                     <bond atomRefs2="a3 a65" order="S"/>
                     <bond atomRefs2="a3 a48" order="S"/>
                     <bond atomRefs2="a3 a75" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a71" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a68" order="S"/>
                     <bond atomRefs2="a6 a69" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a7 a77" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a74" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a8 a56" order="S"/>
                     <bond atomRefs2="a8 a52" order="S"/>
                     <bond atomRefs2="a8 a57" order="S"/>
                     <bond atomRefs2="a8 a54" order="S"/>
                     <bond atomRefs2="a8 a44" order="S"/>
                     <bond atomRefs2="a9 a43" order="S"/>
                     <bond atomRefs2="a9 a48" order="S"/>
                     <bond atomRefs2="a9 a45" order="S"/>
                     <bond atomRefs2="a9 a55" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a57" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a50" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a79" order="S"/>
                     <bond atomRefs2="a11 a74" order="S"/>
                     <bond atomRefs2="a11 a76" order="S"/>
                     <bond atomRefs2="a11 a59" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a49" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a63" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a53" order="S"/>
                     <bond atomRefs2="a13 a16" order="S"/>
                     <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a58" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a55" order="S"/>
                     <bond atomRefs2="a16 a58" order="S"/>
                     <bond atomRefs2="a16 a75" order="S"/>
                     <bond atomRefs2="a16 a48" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a35" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a41" order="S"/>
                     <bond atomRefs2="a18 a45" order="S"/>
                     <bond atomRefs2="a18 a48" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a66" order="S"/>
                     <bond atomRefs2="a20 a69" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a49" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a66" order="S"/>
                     <bond atomRefs2="a21 a61" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a23 a43" order="S"/>
                     <bond atomRefs2="a24 a64" order="S"/>
                     <bond atomRefs2="a25 a67" order="S"/>
                     <bond atomRefs2="a25 a47" order="S"/>
                     <bond atomRefs2="a25 a50" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a41" order="S"/>
                     <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                     <bond atomRefs2="a28 a70" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a54" order="S"/>
                     <bond atomRefs2="a31 a50" order="S"/>
                     <bond atomRefs2="a31 a44" order="S"/>
                     <bond atomRefs2="a31 a42" order="S"/>
                     <bond atomRefs2="a31 a49" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a80" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a55" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a43" order="S"/>
                     <bond atomRefs2="a35 a67" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a62" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a42" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a59" order="S"/>
                     <bond atomRefs2="a36 a52" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a38 a46" order="S"/>
                     <bond atomRefs2="a38 a41" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a39 a44" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a47" order="S"/>
                     <bond atomRefs2="a39 a57" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a63" 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>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
                  <module cmlx:templateRef="magnetization">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="80">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="80">0.007 0.004 0.012 -0.000 -0.004 0.000 0.004 0.005 0.008 0.009 0.001 0.001 0.002 0.001 0.002 0.002 0.002 -0.001 0.001 0.000 0.004 0.005 -0.006 0.002 0.003 -0.002 0.001 -0.001 -0.000 0.001 -0.002 0.006 0.002 -0.003 0.004 0.001 0.005 -0.000 -0.000 -0.003 0.000 0.000 0.009 0.001 0.006 -0.003 -0.000 0.009 -0.000 0.001 -0.001 0.015 -0.002 0.008 0.008 0.001 0.007 -0.001 -0.004 0.006 0.001 -0.000 0.012 0.003 0.004 -0.002 0.004 0.015 0.002 -0.002 0.003 0.008 -0.000 0.015 0.007 0.000 0.010 0.003 0.001 0.006</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="80">0.010 0.004 0.014 -0.003 0.004 -0.005 0.005 0.006 0.014 0.007 0.001 0.001 0.002 0.001 0.003 0.002 0.003 -0.000 0.001 0.001 0.001 0.004 0.002 0.005 0.002 -0.001 0.000 -0.001 0.001 -0.001 -0.003 0.008 -0.002 0.006 0.006 0.002 0.004 -0.003 0.000 0.004 0.020 -0.008 0.212 -0.015 0.110 -0.099 -0.028 0.092 -0.005 -0.006 0.001 0.178 -0.064 0.073 0.099 -0.037 0.089 -0.037 -0.055 0.055 0.009 -0.125 0.198 0.006 0.052 -0.049 0.016 0.180 -0.010 -0.039 0.068 0.025 -0.052 0.200 0.066 -0.017 0.119 0.007 -0.046 0.069</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="80">1.478 1.412 1.490 0.994 -0.673 1.176 1.293 1.484 1.422 1.191 0.000 -0.000 0.001 0.000 0.001 0.001 0.001 -0.000 -0.000 0.000 -0.456 -0.395 -0.323 -0.373 -0.229 0.561 -0.514 -0.232 0.094 -0.453 -0.006 0.010 -0.004 0.021 0.007 0.006 0.003 -0.010 0.000 0.019 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">1.495 1.420 1.516 0.991 -0.673 1.171 1.302 1.495 1.445 1.208 0.002 0.001 0.005 0.003 0.006 0.005 0.006 -0.001 0.003 0.002 -0.451 -0.385 -0.327 -0.366 -0.223 0.558 -0.513 -0.235 0.095 -0.452 -0.011 0.024 -0.004 0.024 0.018 0.009 0.013 -0.013 0.000 0.020 0.020 -0.008 0.221 -0.013 0.116 -0.102 -0.028 0.100 -0.005 -0.005 0.000 0.193 -0.066 0.081 0.107 -0.037 0.096 -0.038 -0.059 0.061 0.010 -0.125 0.209 0.009 0.057 -0.052 0.020 0.196 -0.008 -0.040 0.071 0.033 -0.053 0.215 0.073 -0.017 0.130 0.010 -0.045 0.075</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.223</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">1.359</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">8.997</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">10.579</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-422.08767829</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-422.07311011</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-422.08039420</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.6184</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1584623E-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="6.34813"
                        xFract="0.7521481"
                        y3="4.20665"
                        yFract="0.49841825"
                        z3="8.42307"
                        zFract="0.37907606"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.29891"
                        xFract="0.74631635"
                        y3="6.34323"
                        yFract="0.75156754"
                        z3="6.3427"
                        zFract="0.28545005"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="4.18981"
                        xFract="0.49642299"
                        y3="6.32136"
                        yFract="0.7489763"
                        z3="4.23529"
                        zFract="0.19060711"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="4.20935"
                        xFract="0.49873815"
                        y3="4.23546"
                        yFract="0.50183175"
                        z3="6.36783"
                        zFract="0.28658101"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="4.21074"
                        xFract="0.49890284"
                        y3="-0.01511"
                        yFract="-0.00179028"
                        z3="6.39524"
                        zFract="0.28781458"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="4.2356"
                        xFract="0.50184834"
                        y3="2.11877"
                        yFract="0.2510391"
                        z3="8.45184"
                        zFract="0.38037084"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="6.31548"
                        xFract="0.74827962"
                        y3="4.26539"
                        yFract="0.50537796"
                        z3="4.21027"
                        zFract="0.1894811"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="6.32722"
                        xFract="0.74967062"
                        y3="2.09689"
                        yFract="0.24844668"
                        z3="6.37446"
                        zFract="0.28687939"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="2.10524"
                        xFract="0.24943602"
                        y3="4.22781"
                        yFract="0.50092536"
                        z3="8.46216"
                        zFract="0.38083528"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="2.09976"
                        xFract="0.24878673"
                        y3="4.26602"
                        yFract="0.50545261"
                        z3="4.2746"
                        zFract="0.19237624"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="-0.0051"
                        xFract="-0.00060427"
                        y3="6.36583"
                        yFract="0.75424526"
                        z3="4.2004"
                        zFract="0.1890369"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="2.08565"
                        xFract="0.24711493"
                        y3="-0.01751"
                        yFract="-0.00207464"
                        z3="4.27222"
                        zFract="0.19226913"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.05172"
                        xFract="0.24309479"
                        y3="6.34382"
                        yFract="0.75163744"
                        z3="6.41188"
                        zFract="0.28856346"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="-0.01213"
                        xFract="-0.0014372"
                        y3="2.13082"
                        yFract="0.25246682"
                        z3="8.67519"
                        zFract="0.39042259"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <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="0.02351"
                        xFract="0.00278555"
                        y3="6.31336"
                        yFract="0.74802844"
                        z3="8.68722"
                        zFract="0.390964"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="6.3584"
                        xFract="0.75336493"
                        y3="0.02463"
                        yFract="0.00291825"
                        z3="4.20533"
                        zFract="0.18925878"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="2.06589"
                        xFract="0.2447737"
                        y3="2.06683"
                        yFract="0.24488507"
                        z3="6.38881"
                        zFract="0.2875252"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="-0.01819"
                        xFract="-0.00215521"
                        y3="-0.00911"
                        yFract="-0.00107938"
                        z3="6.47404"
                        zFract="0.29136094"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.22372"
                        xFract="0.50044076"
                        y3="6.32315"
                        yFract="0.74918839"
                        z3="8.51996"
                        zFract="0.38343654"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="-0.02435"
                        xFract="-0.00288507"
                        y3="4.23259"
                        yFract="0.50149171"
                        z3="6.43084"
                        zFract="0.28941674"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="4.21069"
                        xFract="0.49889692"
                        y3="2.08273"
                        yFract="0.24676896"
                        z3="4.21747"
                        zFract="0.18980513"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="6.34898"
                        xFract="0.75224882"
                        y3="0.01232"
                        yFract="0.00145972"
                        z3="8.51835"
                        zFract="0.38336409"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="-0.01741"
                        xFract="-0.0020628"
                        y3="2.09512"
                        yFract="0.24823697"
                        z3="4.19378"
                        zFract="0.18873897"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.10571"
                        xFract="0.24949171"
                        y3="-0.01805"
                        yFract="-0.00213863"
                        z3="8.59031"
                        zFract="0.38660261"/>
                  <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="-0.01561"
                        xFract="-0.00184953"
                        y3="2.10667"
                        yFract="0.24960545"
                        z3="6.22332"
                        zFract="0.28007741"/>
                  <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="2.12009"
                        xFract="0.2511955"
                        y3="-0.1204"
                        yFract="-0.0142654"
                        z3="6.43962"
                        zFract="0.28981188"/>
                  <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="0.09376"
                        xFract="0.011109"
                        y3="-0.0605"
                        yFract="-0.00716825"
                        z3="4.24877"
                        zFract="0.19121377"/>
                  <atom elementType="O"
                        id="a47"
                        x3="-0.02587"
                        xFract="-0.00306517"
                        y3="0.02691"
                        yFract="0.00318839"
                        z3="8.60642"
                        zFract="0.38732763"/>
                  <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="2.16403"
                        xFract="0.25640166"
                        y3="2.23053"
                        yFract="0.26428081"
                        z3="4.2213"
                        zFract="0.1899775"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.14451"
                        xFract="0.25408886"
                        y3="2.11652"
                        yFract="0.25077251"
                        z3="8.51033"
                        zFract="0.38300315"/>
                  <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="4.19481"
                        xFract="0.4970154"
                        y3="2.10386"
                        yFract="0.24927251"
                        z3="6.37438"
                        zFract="0.28687579"/>
                  <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="6.28874"
                        xFract="0.74511137"
                        y3="-0.0046"
                        yFract="-0.00054502"
                        z3="6.31475"
                        zFract="0.28419217"/>
                  <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="4.10392"
                        xFract="0.48624645"
                        y3="-0.14402"
                        yFract="-0.01706398"
                        z3="4.29588"
                        zFract="0.19333393"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.26615"
                        xFract="0.50546801"
                        y3="0.07318"
                        yFract="0.00867062"
                        z3="8.50086"
                        zFract="0.38257696"/>
                  <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="6.25128"
                        xFract="0.74067299"
                        y3="2.20246"
                        yFract="0.26095498"
                        z3="4.29833"
                        zFract="0.19344419"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.30041"
                        xFract="0.74649408"
                        y3="2.14312"
                        yFract="0.25392417"
                        z3="8.45829"
                        zFract="0.38066112"/>
                  <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="-0.16272"
                        xFract="-0.01927962"
                        y3="6.3459"
                        yFract="0.75188389"
                        z3="6.19757"
                        zFract="0.27891854"/>
                  <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="2.12963"
                        xFract="0.25232583"
                        y3="4.3522"
                        yFract="0.51566351"
                        z3="6.37682"
                        zFract="0.2869856"/>
                  <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="-0.01706"
                        xFract="-0.00202133"
                        y3="4.31715"
                        yFract="0.51151066"
                        z3="4.24765"
                        zFract="0.19116337"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.00379"
                        xFract="0.00044905"
                        y3="4.20643"
                        yFract="0.49839218"
                        z3="8.52616"
                        zFract="0.38371557"/>
                  <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="2.28865"
                        xFract="0.27116706"
                        y3="6.26941"
                        yFract="0.74282109"
                        z3="4.09148"
                        zFract="0.18413501"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.18309"
                        xFract="0.25865995"
                        y3="6.31673"
                        yFract="0.74842773"
                        z3="8.74361"
                        zFract="0.3935018"/>
                  <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="4.32923"
                        xFract="0.51294194"
                        y3="6.33124"
                        yFract="0.75014692"
                        z3="6.3598"
                        zFract="0.28621962"/>
                  <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="6.26831"
                        xFract="0.74269076"
                        y3="4.23904"
                        yFract="0.50225592"
                        z3="6.35764"
                        zFract="0.28612241"/>
                  <atom elementType="O"
                        id="a75"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.21512"
                        xFract="0.4994218"
                        y3="4.36227"
                        yFract="0.51685664"
                        z3="4.32997"
                        zFract="0.19486814"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.23371"
                        xFract="0.50162441"
                        y3="4.14747"
                        yFract="0.4914064"
                        z3="8.40802"
                        zFract="0.37839874"/>
                  <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="6.10533"
                        xFract="0.72338033"
                        y3="6.33281"
                        yFract="0.75033294"
                        z3="4.29331"
                        zFract="0.19321827"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.32003"
                        xFract="0.74881872"
                        y3="6.30182"
                        yFract="0.74666114"
                        z3="8.40956"
                        zFract="0.37846805"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a77" order="S"/>
                  <bond atomRefs2="a1 a80" order="S"/>
                  <bond atomRefs2="a1 a74" order="S"/>
                  <bond atomRefs2="a1 a60" order="S"/>
                  <bond atomRefs2="a2 a71" order="S"/>
                  <bond atomRefs2="a2 a75" order="S"/>
                  <bond atomRefs2="a2 a78" order="S"/>
                  <bond atomRefs2="a2 a68" order="S"/>
                  <bond atomRefs2="a3 a68" order="S"/>
                  <bond atomRefs2="a3 a63" order="S"/>
                  <bond atomRefs2="a3 a65" order="S"/>
                  <bond atomRefs2="a3 a48" order="S"/>
                  <bond atomRefs2="a3 a75" order="S"/>
                  <bond atomRefs2="a4 a79" order="S"/>
                  <bond atomRefs2="a4 a80" order="S"/>
                  <bond atomRefs2="a4 a74" order="S"/>
                  <bond atomRefs2="a4 a72" order="S"/>
                  <bond atomRefs2="a5 a79" order="S"/>
                  <bond atomRefs2="a5 a76" order="S"/>
                  <bond atomRefs2="a5 a72" order="S"/>
                  <bond atomRefs2="a5 a71" order="S"/>
                  <bond atomRefs2="a5 a69" order="S"/>
                  <bond atomRefs2="a6 a68" order="S"/>
                  <bond atomRefs2="a6 a69" order="S"/>
                  <bond atomRefs2="a6 a63" order="S"/>
                  <bond atomRefs2="a6 a61" order="S"/>
                  <bond atomRefs2="a6 a71" order="S"/>
                  <bond atomRefs2="a7 a77" order="S"/>
                  <bond atomRefs2="a7 a76" order="S"/>
                  <bond atomRefs2="a7 a72" order="S"/>
                  <bond atomRefs2="a7 a74" order="S"/>
                  <bond atomRefs2="a7 a52" order="S"/>
                  <bond atomRefs2="a7 a64" order="S"/>
                  <bond atomRefs2="a8 a56" order="S"/>
                  <bond atomRefs2="a8 a52" order="S"/>
                  <bond atomRefs2="a8 a57" order="S"/>
                  <bond atomRefs2="a8 a54" order="S"/>
                  <bond atomRefs2="a8 a44" order="S"/>
                  <bond atomRefs2="a9 a43" order="S"/>
                  <bond atomRefs2="a9 a48" order="S"/>
                  <bond atomRefs2="a9 a45" order="S"/>
                  <bond atomRefs2="a9 a55" order="S"/>
                  <bond atomRefs2="a10 a77" order="S"/>
                  <bond atomRefs2="a10 a52" order="S"/>
                  <bond atomRefs2="a10 a57" order="S"/>
                  <bond atomRefs2="a10 a60" order="S"/>
                  <bond atomRefs2="a10 a50" order="S"/>
                  <bond atomRefs2="a11 a73" order="S"/>
                  <bond atomRefs2="a11 a79" order="S"/>
                  <bond atomRefs2="a11 a74" order="S"/>
                  <bond atomRefs2="a11 a76" order="S"/>
                  <bond atomRefs2="a11 a59" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a12 a49" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a12 a48" order="S"/>
                  <bond atomRefs2="a12 a41" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a63" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a51" order="S"/>
                  <bond atomRefs2="a13 a58" order="S"/>
                  <bond atomRefs2="a13 a53" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a55" 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 a74" order="S"/>
                  <bond atomRefs2="a15 a78" order="S"/>
                  <bond atomRefs2="a15 a73" order="S"/>
                  <bond atomRefs2="a15 a75" order="S"/>
                  <bond atomRefs2="a15 a58" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a16 a51" order="S"/>
                  <bond atomRefs2="a16 a55" order="S"/>
                  <bond atomRefs2="a16 a58" order="S"/>
                  <bond atomRefs2="a16 a75" order="S"/>
                  <bond atomRefs2="a16 a48" order="S"/>
                  <bond atomRefs2="a17 a67" order="S"/>
                  <bond atomRefs2="a17 a64" order="S"/>
                  <bond atomRefs2="a17 a70" order="S"/>
                  <bond atomRefs2="a17 a35" order="S"/>
                  <bond atomRefs2="a17 a50" order="S"/>
                  <bond atomRefs2="a17 a77" order="S"/>
                  <bond atomRefs2="a18 a41" order="S"/>
                  <bond atomRefs2="a18 a45" order="S"/>
                  <bond atomRefs2="a18 a48" order="S"/>
                  <bond atomRefs2="a18 a65" order="S"/>
                  <bond atomRefs2="a19 a61" order="S"/>
                  <bond atomRefs2="a19 a65" order="S"/>
                  <bond atomRefs2="a19 a68" order="S"/>
                  <bond atomRefs2="a20 a64" order="S"/>
                  <bond atomRefs2="a20 a66" order="S"/>
                  <bond atomRefs2="a20 a69" order="S"/>
                  <bond atomRefs2="a20 a63" order="S"/>
                  <bond atomRefs2="a20 a49" order="S"/>
                  <bond atomRefs2="a20 a76" order="S"/>
                  <bond atomRefs2="a21 a62" order="S"/>
                  <bond atomRefs2="a21 a66" order="S"/>
                  <bond atomRefs2="a21 a61" order="S"/>
                  <bond atomRefs2="a22 a78" order="S"/>
                  <bond atomRefs2="a22 a73" order="S"/>
                  <bond atomRefs2="a22 a71" order="S"/>
                  <bond atomRefs2="a23 a56" order="S"/>
                  <bond atomRefs2="a23 a46" order="S"/>
                  <bond atomRefs2="a23 a44" order="S"/>
                  <bond atomRefs2="a23 a43" order="S"/>
                  <bond atomRefs2="a24 a64" order="S"/>
                  <bond atomRefs2="a25 a67" order="S"/>
                  <bond atomRefs2="a25 a47" order="S"/>
                  <bond atomRefs2="a25 a50" order="S"/>
                  <bond atomRefs2="a26 a46" order="S"/>
                  <bond atomRefs2="a26 a45" order="S"/>
                  <bond atomRefs2="a26 a41" order="S"/>
                  <bond atomRefs2="a26 a43" 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 a67" order="S"/>
                  <bond atomRefs2="a28 a70" order="S"/>
                  <bond atomRefs2="a29 a75" order="S"/>
                  <bond atomRefs2="a29 a71" order="S"/>
                  <bond atomRefs2="a29 a73" order="S"/>
                  <bond atomRefs2="a29 a51" order="S"/>
                  <bond atomRefs2="a29 a63" order="S"/>
                  <bond atomRefs2="a30 a53" order="S"/>
                  <bond atomRefs2="a30 a54" order="S"/>
                  <bond atomRefs2="a31 a50" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a31 a42" order="S"/>
                  <bond atomRefs2="a31 a49" order="S"/>
                  <bond atomRefs2="a31 a52" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a32 a42" order="S"/>
                  <bond atomRefs2="a32 a47" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a33 a77" order="S"/>
                  <bond atomRefs2="a33 a72" order="S"/>
                  <bond atomRefs2="a33 a80" order="S"/>
                  <bond atomRefs2="a33 a70" order="S"/>
                  <bond atomRefs2="a34 a56" order="S"/>
                  <bond atomRefs2="a34 a55" order="S"/>
                  <bond atomRefs2="a34 a51" order="S"/>
                  <bond atomRefs2="a34 a53" order="S"/>
                  <bond atomRefs2="a34 a43" order="S"/>
                  <bond atomRefs2="a35 a67" order="S"/>
                  <bond atomRefs2="a35 a66" order="S"/>
                  <bond atomRefs2="a35 a62" order="S"/>
                  <bond atomRefs2="a35 a64" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a36 a56" order="S"/>
                  <bond atomRefs2="a36 a59" order="S"/>
                  <bond atomRefs2="a36 a52" order="S"/>
                  <bond atomRefs2="a36 a51" order="S"/>
                  <bond atomRefs2="a36 a49" order="S"/>
                  <bond atomRefs2="a37 a54" order="S"/>
                  <bond atomRefs2="a37 a60" order="S"/>
                  <bond atomRefs2="a37 a57" order="S"/>
                  <bond atomRefs2="a38 a46" order="S"/>
                  <bond atomRefs2="a38 a41" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a66" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a50" order="S"/>
                  <bond atomRefs2="a39 a47" order="S"/>
                  <bond atomRefs2="a39 a57" order="S"/>
                  <bond atomRefs2="a40 a65" order="S"/>
                  <bond atomRefs2="a40 a61" order="S"/>
                  <bond atomRefs2="a40 a63" 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>
         </module>
      </module>
   </module>
</module>
