<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">6.4.1</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">05Apr23 (build May 18 2023 13:19:41) complex</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="9.43950018"
                        zFract="0.42481999"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <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="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <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="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a43"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a45"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a48"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a53"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a55"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a63"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a65"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a68"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a72"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a73"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a74"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a75"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a51" order="S"/>
                  <bond atomRefs2="a2 a66" order="S"/>
                  <bond atomRefs2="a2 a42" order="S"/>
                  <bond atomRefs2="a2 a46" order="S"/>
                  <bond atomRefs2="a2 a49" order="S"/>
                  <bond atomRefs2="a3 a77" order="S"/>
                  <bond atomRefs2="a3 a76" order="S"/>
                  <bond atomRefs2="a3 a72" order="S"/>
                  <bond atomRefs2="a3 a74" order="S"/>
                  <bond atomRefs2="a3 a52" order="S"/>
                  <bond atomRefs2="a3 a64" order="S"/>
                  <bond atomRefs2="a4 a75" order="S"/>
                  <bond atomRefs2="a4 a81" order="S"/>
                  <bond atomRefs2="a4 a78" order="S"/>
                  <bond atomRefs2="a4 a61" order="S"/>
                  <bond atomRefs2="a5 a79" order="S"/>
                  <bond atomRefs2="a5 a74" order="S"/>
                  <bond atomRefs2="a5 a76" order="S"/>
                  <bond atomRefs2="a5 a59" order="S"/>
                  <bond atomRefs2="a6 a58" order="S"/>
                  <bond atomRefs2="a6 a51" order="S"/>
                  <bond atomRefs2="a6 a45" order="S"/>
                  <bond atomRefs2="a6 a48" order="S"/>
                  <bond atomRefs2="a7 a72" order="S"/>
                  <bond atomRefs2="a7 a76" order="S"/>
                  <bond atomRefs2="a7 a79" order="S"/>
                  <bond atomRefs2="a7 a69" order="S"/>
                  <bond atomRefs2="a8 a43" order="S"/>
                  <bond atomRefs2="a8 a48" order="S"/>
                  <bond atomRefs2="a8 a45" order="S"/>
                  <bond atomRefs2="a8 a47" order="S"/>
                  <bond atomRefs2="a9 a69" order="S"/>
                  <bond atomRefs2="a9 a62" order="S"/>
                  <bond atomRefs2="a9 a66" order="S"/>
                  <bond atomRefs2="a10 a47" order="S"/>
                  <bond atomRefs2="a10 a42" order="S"/>
                  <bond atomRefs2="a10 a46" order="S"/>
                  <bond atomRefs2="a10 a44" order="S"/>
                  <bond atomRefs2="a11 a71" order="S"/>
                  <bond atomRefs2="a11 a73" order="S"/>
                  <bond atomRefs2="a11 a70" order="S"/>
                  <bond atomRefs2="a11 a65" order="S"/>
                  <bond atomRefs2="a11 a63" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a53" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a51" order="S"/>
                  <bond atomRefs2="a12 a65" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a50" order="S"/>
                  <bond atomRefs2="a12 a45" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a13 a80" order="S"/>
                  <bond atomRefs2="a13 a73" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a72" order="S"/>
                  <bond atomRefs2="a13 a77" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a70" order="S"/>
                  <bond atomRefs2="a13 a21" order="S"/>
                  <bond atomRefs2="a14 a60" order="S"/>
                  <bond atomRefs2="a14 a53" order="S"/>
                  <bond atomRefs2="a14 a57" order="S"/>
                  <bond atomRefs2="a14 a52" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a77" order="S"/>
                  <bond atomRefs2="a14 a50" order="S"/>
                  <bond atomRefs2="a15 a73" order="S"/>
                  <bond atomRefs2="a15 a78" order="S"/>
                  <bond atomRefs2="a15 a75" order="S"/>
                  <bond atomRefs2="a15 a77" order="S"/>
                  <bond atomRefs2="a15 a53" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a16 a52" order="S"/>
                  <bond atomRefs2="a16 a56" order="S"/>
                  <bond atomRefs2="a16 a59" order="S"/>
                  <bond atomRefs2="a16 a76" order="S"/>
                  <bond atomRefs2="a16 a49" order="S"/>
                  <bond atomRefs2="a17 a79" order="S"/>
                  <bond atomRefs2="a17 a74" order="S"/>
                  <bond atomRefs2="a17 a72" order="S"/>
                  <bond atomRefs2="a17 a80" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a18 a65" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a68" order="S"/>
                  <bond atomRefs2="a18 a63" order="S"/>
                  <bond atomRefs2="a18 a67" order="S"/>
                  <bond atomRefs2="a18 a43" order="S"/>
                  <bond atomRefs2="a19 a70" order="S"/>
                  <bond atomRefs2="a19 a63" order="S"/>
                  <bond atomRefs2="a19 a67" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a62" order="S"/>
                  <bond atomRefs2="a20 a71" order="S"/>
                  <bond atomRefs2="a20 a63" order="S"/>
                  <bond atomRefs2="a20 a68" order="S"/>
                  <bond atomRefs2="a21 a72" order="S"/>
                  <bond atomRefs2="a21 a69" order="S"/>
                  <bond atomRefs2="a21 a64" order="S"/>
                  <bond atomRefs2="a21 a62" order="S"/>
                  <bond atomRefs2="a21 a70" order="S"/>
                  <bond atomRefs2="a22 a52" order="S"/>
                  <bond atomRefs2="a22 a64" order="S"/>
                  <bond atomRefs2="a22 a49" order="S"/>
                  <bond atomRefs2="a22 a44" order="S"/>
                  <bond atomRefs2="a22 a42" order="S"/>
                  <bond atomRefs2="a22 a50" order="S"/>
                  <bond atomRefs2="a23 a53" order="S"/>
                  <bond atomRefs2="a23 a58" order="S"/>
                  <bond atomRefs2="a23 a55" order="S"/>
                  <bond atomRefs2="a23 a57" order="S"/>
                  <bond atomRefs2="a23 a45" order="S"/>
                  <bond atomRefs2="a24 a67" order="S"/>
                  <bond atomRefs2="a24 a50" order="S"/>
                  <bond atomRefs2="a24 a43" order="S"/>
                  <bond atomRefs2="a24 a47" order="S"/>
                  <bond atomRefs2="a24 a42" order="S"/>
                  <bond atomRefs2="a25 a51" order="S"/>
                  <bond atomRefs2="a25 a68" order="S"/>
                  <bond atomRefs2="a25 a43" order="S"/>
                  <bond atomRefs2="a25 a48" order="S"/>
                  <bond atomRefs2="a26 a77" order="S"/>
                  <bond atomRefs2="a26 a70" order="S"/>
                  <bond atomRefs2="a26 a65" order="S"/>
                  <bond atomRefs2="a26 a67" order="S"/>
                  <bond atomRefs2="a26 a64" order="S"/>
                  <bond atomRefs2="a26 a50" order="S"/>
                  <bond atomRefs2="a27 a60" order="S"/>
                  <bond atomRefs2="a27 a55" order="S"/>
                  <bond atomRefs2="a27 a54" order="S"/>
                  <bond atomRefs2="a27 a57" order="S"/>
                  <bond atomRefs2="a28 a67" order="S"/>
                  <bond atomRefs2="a28 a64" order="S"/>
                  <bond atomRefs2="a28 a66" order="S"/>
                  <bond atomRefs2="a28 a62" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a29 a71" order="S"/>
                  <bond atomRefs2="a29 a78" order="S"/>
                  <bond atomRefs2="a29 a51" order="S"/>
                  <bond atomRefs2="a29 a65" order="S"/>
                  <bond atomRefs2="a29 a68" order="S"/>
                  <bond atomRefs2="a30 a60" order="S"/>
                  <bond atomRefs2="a30 a61" order="S"/>
                  <bond atomRefs2="a30 a55" order="S"/>
                  <bond atomRefs2="a30 a53" order="S"/>
                  <bond atomRefs2="a30 a75" order="S"/>
                  <bond atomRefs2="a31 a59" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a56" order="S"/>
                  <bond atomRefs2="a32 a56" order="S"/>
                  <bond atomRefs2="a32 a49" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a33 a57" order="S"/>
                  <bond atomRefs2="a33 a50" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a33 a47" order="S"/>
                  <bond atomRefs2="a34 a59" order="S"/>
                  <bond atomRefs2="a34 a54" order="S"/>
                  <bond atomRefs2="a34 a52" order="S"/>
                  <bond atomRefs2="a34 a60" order="S"/>
                  <bond atomRefs2="a34 a74" order="S"/>
                  <bond atomRefs2="a35 a71" order="S"/>
                  <bond atomRefs2="a35 a73" order="S"/>
                  <bond atomRefs2="a35 a78" order="S"/>
                  <bond atomRefs2="a35 a81" order="S"/>
                  <bond atomRefs2="a36 a80" order="S"/>
                  <bond atomRefs2="a36 a81" order="S"/>
                  <bond atomRefs2="a36 a75" order="S"/>
                  <bond atomRefs2="a36 a73" order="S"/>
                  <bond atomRefs2="a37 a57" order="S"/>
                  <bond atomRefs2="a37 a52" order="S"/>
                  <bond atomRefs2="a37 a56" order="S"/>
                  <bond atomRefs2="a37 a54" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a38 a76" order="S"/>
                  <bond atomRefs2="a38 a69" order="S"/>
                  <bond atomRefs2="a38 a64" order="S"/>
                  <bond atomRefs2="a38 a66" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a39 a80" order="S"/>
                  <bond atomRefs2="a39 a75" order="S"/>
                  <bond atomRefs2="a39 a74" order="S"/>
                  <bond atomRefs2="a39 a77" order="S"/>
                  <bond atomRefs2="a39 a60" order="S"/>
                  <bond atomRefs2="a40 a55" order="S"/>
                  <bond atomRefs2="a40 a61" order="S"/>
                  <bond atomRefs2="a40 a58" order="S"/>
                  <bond atomRefs2="a41 a53" order="S"/>
                  <bond atomRefs2="a41 a58" order="S"/>
                  <bond atomRefs2="a41 a61" order="S"/>
                  <bond atomRefs2="a41 a78" order="S"/>
                  <bond atomRefs2="a41 a51" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg10Ni10O40Zn10">
                  <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                        id="a1"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="9.43950016"
                        zFract="0.42481999"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <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="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <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="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a43"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a45"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a48"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a53"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a55"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a63"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a65"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a68"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a72"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a73"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a74"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a75"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a51" order="S"/>
                  <bond atomRefs2="a2 a66" order="S"/>
                  <bond atomRefs2="a2 a42" order="S"/>
                  <bond atomRefs2="a2 a46" order="S"/>
                  <bond atomRefs2="a2 a49" order="S"/>
                  <bond atomRefs2="a3 a77" order="S"/>
                  <bond atomRefs2="a3 a76" order="S"/>
                  <bond atomRefs2="a3 a72" order="S"/>
                  <bond atomRefs2="a3 a74" order="S"/>
                  <bond atomRefs2="a3 a52" order="S"/>
                  <bond atomRefs2="a3 a64" order="S"/>
                  <bond atomRefs2="a4 a75" order="S"/>
                  <bond atomRefs2="a4 a81" order="S"/>
                  <bond atomRefs2="a4 a78" order="S"/>
                  <bond atomRefs2="a4 a61" order="S"/>
                  <bond atomRefs2="a5 a79" order="S"/>
                  <bond atomRefs2="a5 a74" order="S"/>
                  <bond atomRefs2="a5 a76" order="S"/>
                  <bond atomRefs2="a5 a59" order="S"/>
                  <bond atomRefs2="a6 a58" order="S"/>
                  <bond atomRefs2="a6 a51" order="S"/>
                  <bond atomRefs2="a6 a45" order="S"/>
                  <bond atomRefs2="a6 a48" order="S"/>
                  <bond atomRefs2="a7 a72" order="S"/>
                  <bond atomRefs2="a7 a76" order="S"/>
                  <bond atomRefs2="a7 a79" order="S"/>
                  <bond atomRefs2="a7 a69" order="S"/>
                  <bond atomRefs2="a8 a43" order="S"/>
                  <bond atomRefs2="a8 a48" order="S"/>
                  <bond atomRefs2="a8 a45" order="S"/>
                  <bond atomRefs2="a8 a47" order="S"/>
                  <bond atomRefs2="a9 a69" order="S"/>
                  <bond atomRefs2="a9 a62" order="S"/>
                  <bond atomRefs2="a9 a66" order="S"/>
                  <bond atomRefs2="a10 a47" order="S"/>
                  <bond atomRefs2="a10 a42" order="S"/>
                  <bond atomRefs2="a10 a46" order="S"/>
                  <bond atomRefs2="a10 a44" order="S"/>
                  <bond atomRefs2="a11 a71" order="S"/>
                  <bond atomRefs2="a11 a73" order="S"/>
                  <bond atomRefs2="a11 a70" order="S"/>
                  <bond atomRefs2="a11 a65" order="S"/>
                  <bond atomRefs2="a11 a63" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a53" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a51" order="S"/>
                  <bond atomRefs2="a12 a65" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a50" order="S"/>
                  <bond atomRefs2="a12 a45" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a13 a80" order="S"/>
                  <bond atomRefs2="a13 a73" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a72" order="S"/>
                  <bond atomRefs2="a13 a77" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a70" order="S"/>
                  <bond atomRefs2="a13 a21" order="S"/>
                  <bond atomRefs2="a14 a60" order="S"/>
                  <bond atomRefs2="a14 a53" order="S"/>
                  <bond atomRefs2="a14 a57" order="S"/>
                  <bond atomRefs2="a14 a52" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a77" order="S"/>
                  <bond atomRefs2="a14 a50" order="S"/>
                  <bond atomRefs2="a15 a73" order="S"/>
                  <bond atomRefs2="a15 a78" order="S"/>
                  <bond atomRefs2="a15 a75" order="S"/>
                  <bond atomRefs2="a15 a77" order="S"/>
                  <bond atomRefs2="a15 a53" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a16 a52" order="S"/>
                  <bond atomRefs2="a16 a56" order="S"/>
                  <bond atomRefs2="a16 a59" order="S"/>
                  <bond atomRefs2="a16 a76" order="S"/>
                  <bond atomRefs2="a16 a49" order="S"/>
                  <bond atomRefs2="a17 a79" order="S"/>
                  <bond atomRefs2="a17 a74" order="S"/>
                  <bond atomRefs2="a17 a72" order="S"/>
                  <bond atomRefs2="a17 a80" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a18 a65" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a68" order="S"/>
                  <bond atomRefs2="a18 a63" order="S"/>
                  <bond atomRefs2="a18 a67" order="S"/>
                  <bond atomRefs2="a18 a43" order="S"/>
                  <bond atomRefs2="a19 a70" order="S"/>
                  <bond atomRefs2="a19 a63" order="S"/>
                  <bond atomRefs2="a19 a67" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a62" order="S"/>
                  <bond atomRefs2="a20 a71" order="S"/>
                  <bond atomRefs2="a20 a63" order="S"/>
                  <bond atomRefs2="a20 a68" order="S"/>
                  <bond atomRefs2="a21 a72" order="S"/>
                  <bond atomRefs2="a21 a69" order="S"/>
                  <bond atomRefs2="a21 a64" order="S"/>
                  <bond atomRefs2="a21 a62" order="S"/>
                  <bond atomRefs2="a21 a70" order="S"/>
                  <bond atomRefs2="a22 a52" order="S"/>
                  <bond atomRefs2="a22 a64" order="S"/>
                  <bond atomRefs2="a22 a49" order="S"/>
                  <bond atomRefs2="a22 a44" order="S"/>
                  <bond atomRefs2="a22 a42" order="S"/>
                  <bond atomRefs2="a22 a50" order="S"/>
                  <bond atomRefs2="a23 a53" order="S"/>
                  <bond atomRefs2="a23 a58" order="S"/>
                  <bond atomRefs2="a23 a55" order="S"/>
                  <bond atomRefs2="a23 a57" order="S"/>
                  <bond atomRefs2="a23 a45" order="S"/>
                  <bond atomRefs2="a24 a67" order="S"/>
                  <bond atomRefs2="a24 a50" order="S"/>
                  <bond atomRefs2="a24 a43" order="S"/>
                  <bond atomRefs2="a24 a47" order="S"/>
                  <bond atomRefs2="a24 a42" order="S"/>
                  <bond atomRefs2="a25 a51" order="S"/>
                  <bond atomRefs2="a25 a68" order="S"/>
                  <bond atomRefs2="a25 a43" order="S"/>
                  <bond atomRefs2="a25 a48" order="S"/>
                  <bond atomRefs2="a26 a77" order="S"/>
                  <bond atomRefs2="a26 a70" order="S"/>
                  <bond atomRefs2="a26 a65" order="S"/>
                  <bond atomRefs2="a26 a67" order="S"/>
                  <bond atomRefs2="a26 a64" order="S"/>
                  <bond atomRefs2="a26 a50" order="S"/>
                  <bond atomRefs2="a27 a60" order="S"/>
                  <bond atomRefs2="a27 a55" order="S"/>
                  <bond atomRefs2="a27 a54" order="S"/>
                  <bond atomRefs2="a27 a57" order="S"/>
                  <bond atomRefs2="a28 a67" order="S"/>
                  <bond atomRefs2="a28 a64" order="S"/>
                  <bond atomRefs2="a28 a66" order="S"/>
                  <bond atomRefs2="a28 a62" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a29 a71" order="S"/>
                  <bond atomRefs2="a29 a78" order="S"/>
                  <bond atomRefs2="a29 a51" order="S"/>
                  <bond atomRefs2="a29 a65" order="S"/>
                  <bond atomRefs2="a29 a68" order="S"/>
                  <bond atomRefs2="a30 a60" order="S"/>
                  <bond atomRefs2="a30 a61" order="S"/>
                  <bond atomRefs2="a30 a55" order="S"/>
                  <bond atomRefs2="a30 a53" order="S"/>
                  <bond atomRefs2="a30 a75" order="S"/>
                  <bond atomRefs2="a31 a59" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a56" order="S"/>
                  <bond atomRefs2="a32 a56" order="S"/>
                  <bond atomRefs2="a32 a49" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a33 a57" order="S"/>
                  <bond atomRefs2="a33 a50" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a33 a47" order="S"/>
                  <bond atomRefs2="a34 a59" order="S"/>
                  <bond atomRefs2="a34 a54" order="S"/>
                  <bond atomRefs2="a34 a52" order="S"/>
                  <bond atomRefs2="a34 a60" order="S"/>
                  <bond atomRefs2="a34 a74" order="S"/>
                  <bond atomRefs2="a35 a71" order="S"/>
                  <bond atomRefs2="a35 a73" order="S"/>
                  <bond atomRefs2="a35 a78" order="S"/>
                  <bond atomRefs2="a35 a81" order="S"/>
                  <bond atomRefs2="a36 a80" order="S"/>
                  <bond atomRefs2="a36 a81" order="S"/>
                  <bond atomRefs2="a36 a75" order="S"/>
                  <bond atomRefs2="a36 a73" order="S"/>
                  <bond atomRefs2="a37 a57" order="S"/>
                  <bond atomRefs2="a37 a52" order="S"/>
                  <bond atomRefs2="a37 a56" order="S"/>
                  <bond atomRefs2="a37 a54" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a38 a76" order="S"/>
                  <bond atomRefs2="a38 a69" order="S"/>
                  <bond atomRefs2="a38 a64" order="S"/>
                  <bond atomRefs2="a38 a66" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a39 a80" order="S"/>
                  <bond atomRefs2="a39 a75" order="S"/>
                  <bond atomRefs2="a39 a74" order="S"/>
                  <bond atomRefs2="a39 a77" order="S"/>
                  <bond atomRefs2="a39 a60" order="S"/>
                  <bond atomRefs2="a40 a55" order="S"/>
                  <bond atomRefs2="a40 a61" order="S"/>
                  <bond atomRefs2="a40 a58" order="S"/>
                  <bond atomRefs2="a41 a53" order="S"/>
                  <bond atomRefs2="a41 a58" order="S"/>
                  <bond atomRefs2="a41 a61" order="S"/>
                  <bond atomRefs2="a41 a78" order="S"/>
                  <bond atomRefs2="a41 a51" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg10Ni10O40Zn10">
                  <atomArray count="1 10 10 10 40 10" elementType="H 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">591.0000</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="6">PAW_PBE H 15Jun2001|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="6">H Ni Mg Cu Zn O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="6">1.000 58.690 24.305 63.546 65.390 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="6">1.000 10.000 2.000 11.000 12.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="6">1 10 10 10 10 40</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="768">-20.1651 -18.7784 -18.5502 -18.3995 -18.3758 -18.2150 -18.1559 -18.0942 -17.9854 -17.9574 -17.9309 -17.8988 -17.8545 -17.8053 -17.7828 -17.7466 -17.7172 -17.6818 -17.6678 -17.6532 -17.6093 -17.5987 -17.5604 -17.5520 -17.5321 -17.5171 -17.4892 -17.4708 -17.4476 -17.4281 -17.4163 -17.3815 -17.3652 -17.3420 -17.3281 -17.2892 -17.2528 -17.2354 -17.2133 -17.1555 -7.9499 -6.7962 -6.7657 -6.6766 -6.5924 -6.5143 -6.4685 -6.4473 -6.4190 -6.4093 -6.3889 -6.3510 -6.3091 -6.2751 -6.2460 -6.2041 -6.1723 -6.1518 -6.1466 -6.1110 -6.0716 -6.0567 -6.0450 -6.0326 -5.9947 -5.9905 -5.9720 -5.9334 -5.9281 -5.9135 -5.9034 -5.8915 -5.8606 -5.8411 -5.8260 -5.8112 -5.7966 -5.7764 -5.7546 -5.7354 -5.7223 -5.7006 -5.6592 -5.6393 -5.6211 -5.6045 -5.5984 -5.5782 -5.5574 -5.5186 -5.4980 -5.4584 -5.4443 -5.4159 -5.3844 -5.3663 -5.3380 -5.3084 -5.2905 -5.2514 -5.2419 -5.2010 -5.1853 -5.1513 -5.1212 -5.0915 -5.0714 -5.0426 -5.0081 -4.9739 -4.9373 -4.9194 -4.8970 -4.8750 -4.8224 -4.7928 -4.7318 -4.7113 -4.6885 -4.6723 -4.6250 -4.5961 -4.5754 -4.5473 -4.5340 -4.4737 -4.4525 -4.4247 -4.4018 -4.3685 -4.3204 -4.2858 -4.2693 -4.2489 -4.2168 -4.1812 -4.1545 -4.1178 -4.0903 -4.0791 -4.0451 -4.0149 -4.0106 -3.9618 -3.9306 -3.9267 -3.8739 -3.8705 -3.8447 -3.8046 -3.7867 -3.7691 -3.7405 -3.7242 -3.6512 -3.6443 -3.6178 -3.5875 -3.5597 -3.5388 -3.4934 -3.4716 -3.4416 -3.4245 -3.3927 -3.3526 -3.3183 -3.2666 -3.2398 -3.2209 -3.1693 -3.1544 -3.1190 -3.0950 -3.0678 -3.0501 -3.0158 -2.9876 -2.9577 -2.9211 -2.8853 -2.8594 -2.8494 -2.7965 -2.7725 -2.7200 -2.6863 -2.6523 -2.6055 -2.5751 -2.5400 -2.4973 -2.4713 -2.4481 -2.3994 -2.3822 -2.3394 -2.3141 -2.2694 -2.2548 -2.1580 -2.1334 -2.0968 -2.0572 -1.9747 -1.9434 -1.8939 -1.8714 -1.8397 -1.7722 -1.7489 -1.7135 -1.6915 -1.6652 -1.6497 -1.6067 -1.5989 -1.5699 -1.5509 -1.5272 -1.5212 -1.4883 -1.4549 -1.4526 -1.4298 -1.4023 -1.3947 -1.3832 -1.3645 -1.3546 -1.3363 -1.3107 -1.2949 -1.2837 -1.2675 -1.2617 -1.2485 -1.2200 -1.1944 -1.1852 -1.1653 -1.1569 -1.1471 -1.1277 -1.1142 -1.1033 -1.0895 -1.0808 -1.0714 -1.0564 -1.0494 -1.0200 -1.0123 -0.9984 -0.9852 -0.9798 -0.9709 -0.9491 -0.9377 -0.9191 -0.9097 -0.9035 -0.8850 -0.8715 -0.8587 -0.8420 -0.8312 -0.8157 -0.8026 -0.7905 -0.7710 -0.7354 -0.7242 -0.6941 -0.6762 -0.6517 -0.6239 -0.6093 -0.5854 -0.5467 -0.5273 -0.4919 -0.4608 -0.4487 -0.4217 -0.3852 -0.3490 -0.3215 -0.2817 -0.2613 -0.2278 -0.1634 -0.1231 -0.0606 -0.0160 0.0363 0.0584 0.0896 0.1401 0.2043 0.3211 0.3569 0.4295 0.4926 0.5309 0.6226 0.6706 0.7080 0.7541 0.8866 2.1265 2.3809 3.4457 3.6673 3.8226 3.8704 3.9092 4.3307 4.6641 4.7111 4.7613 4.8099 4.9507 5.0371 5.1902 5.3353 5.3659 5.4518 5.5301 5.6523 5.6920 5.7653 5.8440 5.8779 5.9263 5.9739 6.0037 6.0770 6.1392 6.3197 6.3470 6.4745 6.5621 6.7098 6.7463 6.7882 6.8909 6.9159 6.9702 7.0838 7.1062 7.1953 7.2375 7.2712 7.3909 7.4807 7.5936 7.6124 7.6657 7.8176 7.8528 7.9738 8.0014 8.0582 8.1091 8.1959 8.2375 8.3266 8.4342 8.5478 8.5688 8.5875 8.6502 8.7034 8.7294 8.8056 8.8630 8.9214 8.9318 9.0083 9.0587 9.0859 9.1262 9.2141 -20.1651 -18.7777 -18.5500 -18.4238 -18.3393 -18.2434 -18.1377 -18.0893 -17.9916 -17.9670 -17.9342 -17.8784 -17.8429 -17.8297 -17.7824 -17.7495 -17.7177 -17.6894 -17.6687 -17.6291 -17.6139 -17.5903 -17.5746 -17.5537 -17.5304 -17.5082 -17.4917 -17.4812 -17.4444 -17.4299 -17.4049 -17.3816 -17.3649 -17.3478 -17.3342 -17.2789 -17.2538 -17.2420 -17.2145 -17.1525 -7.9492 -6.8020 -6.7597 -6.6830 -6.5811 -6.5308 -6.4692 -6.4396 -6.4138 -6.4040 -6.3867 -6.3600 -6.3237 -6.2883 -6.2326 -6.2068 -6.1779 -6.1542 -6.1311 -6.1164 -6.0921 -6.0591 -6.0403 -6.0130 -5.9938 -5.9768 -5.9668 -5.9559 -5.9293 -5.9094 -5.8868 -5.8684 -5.8615 -5.8345 -5.8251 -5.8141 -5.7859 -5.7692 -5.7406 -5.7241 -5.7183 -5.6921 -5.6800 -5.6431 -5.6393 -5.6120 -5.5930 -5.5709 -5.5532 -5.5291 -5.5104 -5.4695 -5.4636 -5.4129 -5.3915 -5.3576 -5.3305 -5.3033 -5.2821 -5.2629 -5.2445 -5.2243 -5.1823 -5.1503 -5.1312 -5.0947 -5.0692 -5.0582 -5.0230 -4.9879 -4.9445 -4.9222 -4.8835 -4.8349 -4.8229 -4.7950 -4.7786 -4.7560 -4.7096 -4.6721 -4.6085 -4.5911 -4.5384 -4.5234 -4.4984 -4.4665 -4.4424 -4.4376 -4.3886 -4.3488 -4.2989 -4.2778 -4.2525 -4.2388 -4.2151 -4.1838 -4.1661 -4.1273 -4.1061 -4.0820 -4.0505 -4.0280 -3.9811 -3.9632 -3.9569 -3.9132 -3.8903 -3.8844 -3.8440 -3.8127 -3.7734 -3.7629 -3.7241 -3.7007 -3.6672 -3.6345 -3.6251 -3.5804 -3.5612 -3.5198 -3.5027 -3.4771 -3.4387 -3.4209 -3.3764 -3.3469 -3.3224 -3.2705 -3.2580 -3.2155 -3.2044 -3.1602 -3.1463 -3.1210 -3.0666 -3.0562 -3.0077 -2.9790 -2.9548 -2.9199 -2.8883 -2.8545 -2.8191 -2.8042 -2.7534 -2.7256 -2.6962 -2.6777 -2.6124 -2.5518 -2.5428 -2.5028 -2.4815 -2.4473 -2.4072 -2.3721 -2.3493 -2.3280 -2.2655 -2.2264 -2.1689 -2.1535 -2.0831 -2.0581 -1.9886 -1.9505 -1.8947 -1.8511 -1.8412 -1.7541 -1.7395 -1.7248 -1.6944 -1.6547 -1.6397 -1.6258 -1.6019 -1.5835 -1.5543 -1.5375 -1.5089 -1.4777 -1.4675 -1.4529 -1.4160 -1.4016 -1.3898 -1.3771 -1.3619 -1.3396 -1.3296 -1.3127 -1.3000 -1.2824 -1.2741 -1.2536 -1.2396 -1.2196 -1.2065 -1.1878 -1.1759 -1.1614 -1.1360 -1.1306 -1.1192 -1.1042 -1.0945 -1.0885 -1.0633 -1.0452 -1.0369 -1.0237 -1.0118 -1.0017 -0.9848 -0.9730 -0.9634 -0.9580 -0.9458 -0.9273 -0.9171 -0.8939 -0.8871 -0.8728 -0.8640 -0.8497 -0.8330 -0.8113 -0.8004 -0.7859 -0.7689 -0.7466 -0.7320 -0.6983 -0.6554 -0.6456 -0.6387 -0.6080 -0.5853 -0.5480 -0.5363 -0.4978 -0.4635 -0.4415 -0.4151 -0.3718 -0.3301 -0.3176 -0.2855 -0.2520 -0.2080 -0.1677 -0.1147 -0.0819 -0.0155 0.0400 0.0609 0.0974 0.1498 0.2144 0.2928 0.3464 0.4294 0.4891 0.5176 0.6293 0.6544 0.7033 0.7539 0.9006 2.1278 2.3815 3.4578 3.6842 3.7771 3.8283 3.9032 4.4667 4.6445 4.7181 4.7212 4.8206 4.9324 5.0613 5.1820 5.3064 5.3561 5.4770 5.5127 5.5929 5.7050 5.8088 5.8342 5.8848 5.9424 5.9793 6.0287 6.0578 6.1322 6.2226 6.3942 6.4586 6.6295 6.6381 6.7656 6.8188 6.8896 6.9386 6.9829 7.0684 7.0984 7.1474 7.2369 7.3015 7.3671 7.4886 7.5359 7.6777 7.7310 7.7966 7.8457 7.9461 8.0126 8.0587 8.1428 8.1954 8.2221 8.3457 8.4079 8.4977 8.5401 8.6316 8.6812 8.7121 8.7469 8.7887 8.8712 8.8831 8.9751 9.0211 9.0288 9.0984 9.1479 9.1913</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="768">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99627 0.48666 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99826 0.81850 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">2</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="768">-20.1538 -18.6141 -18.3710 -18.2361 -18.2034 -18.0406 -18.0089 -17.9150 -17.8414 -17.7957 -17.7323 -17.7227 -17.6790 -17.6414 -17.6287 -17.6066 -17.5623 -17.5317 -17.5031 -17.4610 -17.4516 -17.4432 -17.4197 -17.3878 -17.3549 -17.3383 -17.3183 -17.3023 -17.2749 -17.2699 -17.2558 -17.2213 -17.2089 -17.2070 -17.1511 -17.1431 -17.1384 -17.1172 -17.0813 -17.0146 -7.9276 -6.6898 -6.6723 -6.5847 -6.5328 -6.4427 -6.4083 -6.3679 -6.3483 -6.3181 -6.3062 -6.2575 -6.2392 -6.1948 -6.1701 -6.1346 -6.1129 -6.0920 -6.0732 -6.0515 -6.0182 -5.9966 -5.9639 -5.9445 -5.9312 -5.9184 -5.9000 -5.8658 -5.8559 -5.8441 -5.8355 -5.8133 -5.7916 -5.7742 -5.7555 -5.7402 -5.7300 -5.7078 -5.6882 -5.6751 -5.6439 -5.6353 -5.6041 -5.5870 -5.5746 -5.5511 -5.5275 -5.5113 -5.4974 -5.4538 -5.4230 -5.3993 -5.3629 -5.3335 -5.3055 -5.2815 -5.2387 -5.2305 -5.1750 -5.1568 -5.1368 -5.1139 -5.0771 -5.0330 -5.0034 -4.9791 -4.9475 -4.9218 -4.8861 -4.8526 -4.8250 -4.7876 -4.7671 -4.7069 -4.6850 -4.6295 -4.5842 -4.5431 -4.5186 -4.4886 -4.4741 -4.4455 -4.3714 -4.3629 -4.3235 -4.2732 -4.2533 -4.2129 -4.1572 -4.1174 -4.0868 -4.0624 -4.0182 -3.9712 -3.9257 -3.9082 -3.8802 -3.8505 -3.8252 -3.8056 -3.7644 -3.7360 -3.7047 -3.6902 -3.6390 -3.6059 -3.5828 -3.5556 -3.5339 -3.4937 -3.4766 -3.4514 -3.4338 -3.4158 -3.3774 -3.3447 -3.3312 -3.2953 -3.2609 -3.2311 -3.2079 -3.1977 -3.1589 -3.1299 -3.1154 -3.0856 -3.0614 -3.0412 -3.0054 -2.9819 -2.9523 -2.8890 -2.8590 -2.8464 -2.8177 -2.7938 -2.7631 -2.7450 -2.7000 -2.6781 -2.6580 -2.6050 -2.5910 -2.5669 -2.5221 -2.5070 -2.4602 -2.4320 -2.3940 -2.3465 -2.3071 -2.2765 -2.2508 -2.2287 -2.1736 -2.1512 -2.1318 -2.0864 -2.0396 -2.0102 -1.9502 -1.9078 -1.8896 -1.8048 -1.7583 -1.7081 -1.6603 -1.5739 -1.5571 -1.4618 -1.4272 -1.4173 -1.3669 -1.3482 -1.3389 -1.2976 -1.2717 -1.2410 -1.2203 -1.1910 -1.1658 -1.1445 -1.1360 -1.1293 -1.1152 -1.0964 -1.0667 -1.0327 -1.0263 -1.0024 -0.9711 -0.9582 -0.9424 -0.9159 -0.8966 -0.8803 -0.8370 -0.8018 -0.7948 -0.7704 -0.7552 -0.7317 -0.6753 -0.6569 -0.6355 -0.6144 -0.5847 -0.5391 -0.5231 -0.4992 -0.4925 -0.4831 -0.4549 -0.3980 -0.3842 -0.3774 -0.3649 -0.3492 -0.3339 -0.3030 -0.2825 -0.2715 -0.2586 -0.2406 -0.2227 -0.2012 -0.1946 -0.1581 -0.1466 -0.1309 -0.1206 -0.1046 -0.0975 -0.0814 -0.0744 -0.0359 -0.0137 -0.0003 0.0633 0.0893 0.1003 0.1548 0.2224 0.3049 0.3818 0.4815 0.5312 0.5717 0.6304 0.6728 0.7289 0.7710 0.7983 0.8695 0.9260 0.9775 1.0641 1.1020 1.1627 1.2131 1.3855 1.4537 1.5024 1.5503 1.6045 1.6201 1.6359 1.6646 1.7511 2.1803 2.2204 2.5216 3.5323 3.7774 3.9759 3.9948 4.1110 4.3844 4.7733 4.8629 4.9037 4.9278 5.0572 5.1172 5.3625 5.4438 5.5408 5.6124 5.6788 5.7885 5.8071 5.8933 6.0202 6.0604 6.0746 6.1134 6.1824 6.2400 6.2900 6.4213 6.4568 6.5938 6.6634 6.8148 6.8426 6.8969 6.9846 7.0144 7.0670 7.1705 7.2310 7.2909 7.3399 7.3878 7.4996 7.5787 7.6875 7.7113 7.7560 7.9130 7.9623 8.0871 8.1169 8.1700 8.2189 8.3018 8.3338 8.4232 8.5450 8.6491 8.6730 8.6918 8.7595 8.7958 8.8307 8.9060 8.9618 9.0145 9.0358 9.1035 9.1489 9.1957 9.2420 9.3242 -20.1539 -18.6134 -18.3695 -18.2624 -18.1683 -18.0715 -17.9808 -17.9115 -17.8490 -17.7924 -17.7653 -17.6998 -17.6821 -17.6435 -17.6168 -17.6021 -17.5891 -17.5183 -17.4833 -17.4715 -17.4562 -17.4332 -17.4196 -17.3907 -17.3652 -17.3462 -17.3083 -17.3010 -17.2729 -17.2691 -17.2560 -17.2232 -17.2150 -17.1913 -17.1631 -17.1565 -17.1360 -17.1055 -17.0800 -17.0155 -7.9269 -6.6981 -6.6684 -6.5888 -6.5252 -6.4611 -6.3972 -6.3737 -6.3363 -6.3192 -6.2886 -6.2813 -6.2442 -6.2080 -6.1537 -6.1407 -6.1054 -6.0925 -6.0747 -6.0505 -6.0381 -6.0066 -5.9598 -5.9395 -5.9165 -5.9071 -5.8944 -5.8800 -5.8611 -5.8365 -5.8122 -5.7905 -5.7801 -5.7669 -5.7560 -5.7369 -5.7176 -5.7006 -5.6867 -5.6678 -5.6555 -5.6332 -5.6105 -5.5971 -5.5804 -5.5595 -5.5336 -5.5070 -5.4825 -5.4617 -5.4331 -5.4071 -5.3826 -5.3348 -5.3110 -5.2873 -5.2351 -5.2197 -5.1847 -5.1704 -5.1527 -5.0997 -5.0712 -5.0428 -5.0153 -4.9755 -4.9590 -4.9343 -4.9104 -4.8472 -4.8294 -4.7690 -4.7506 -4.7122 -4.6938 -4.6403 -4.5978 -4.5531 -4.5360 -4.5121 -4.4629 -4.4096 -4.3864 -4.3207 -4.2949 -4.2697 -4.2193 -4.1909 -4.1817 -4.1169 -4.0515 -4.0327 -3.9888 -3.9737 -3.9455 -3.9107 -3.8738 -3.8529 -3.8269 -3.8006 -3.7799 -3.7325 -3.7078 -3.6928 -3.6451 -3.5990 -3.5944 -3.5640 -3.5334 -3.5207 -3.5044 -3.4576 -3.4356 -3.3776 -3.3743 -3.3554 -3.3407 -3.2947 -3.2529 -3.2380 -3.2198 -3.1940 -3.1776 -3.1450 -3.1204 -3.0970 -3.0499 -3.0351 -2.9902 -2.9635 -2.9529 -2.9212 -2.8738 -2.8574 -2.8223 -2.7881 -2.7588 -2.7112 -2.6969 -2.6656 -2.6475 -2.5961 -2.5779 -2.5674 -2.5353 -2.5060 -2.4793 -2.4644 -2.3865 -2.3502 -2.2955 -2.2814 -2.2591 -2.2193 -2.1856 -2.1518 -2.1167 -2.0702 -2.0562 -1.9947 -1.9597 -1.9229 -1.8638 -1.7895 -1.7532 -1.7114 -1.6318 -1.5902 -1.5616 -1.4815 -1.4303 -1.3914 -1.3675 -1.3588 -1.3309 -1.3161 -1.2668 -1.2531 -1.2264 -1.2165 -1.1950 -1.1568 -1.1424 -1.1233 -1.0968 -1.0872 -1.0725 -1.0300 -1.0231 -0.9963 -0.9696 -0.9555 -0.9226 -0.9125 -0.8942 -0.8713 -0.8355 -0.8041 -0.7905 -0.7777 -0.7606 -0.7354 -0.6920 -0.6611 -0.6261 -0.6186 -0.5665 -0.5408 -0.5254 -0.5093 -0.4904 -0.4769 -0.4471 -0.4036 -0.3968 -0.3699 -0.3628 -0.3576 -0.3309 -0.3195 -0.2978 -0.2705 -0.2560 -0.2429 -0.2259 -0.1991 -0.1819 -0.1619 -0.1505 -0.1337 -0.1161 -0.1064 -0.0986 -0.0885 -0.0713 -0.0258 -0.0179 0.0245 0.0784 0.0917 0.1207 0.1594 0.2269 0.3263 0.3904 0.4865 0.5414 0.5734 0.6156 0.6680 0.7399 0.7515 0.7870 0.8655 0.9293 0.9683 1.0588 1.0826 1.1583 1.2132 1.3870 1.4523 1.5009 1.5540 1.6031 1.6254 1.6420 1.6607 1.7495 2.1814 2.2221 2.5219 3.5496 3.8003 3.8686 3.9787 4.1084 4.5534 4.7556 4.8088 4.8963 4.9458 5.0442 5.1463 5.3530 5.4227 5.5490 5.6076 5.6660 5.7239 5.8296 5.9037 6.0140 6.0690 6.1044 6.1459 6.1768 6.2305 6.2752 6.3455 6.4773 6.6020 6.7152 6.7463 6.8596 6.9066 6.9872 7.0390 7.0834 7.1789 7.2064 7.2416 7.3528 7.4042 7.4777 7.6005 7.6267 7.7772 7.8258 7.8918 7.9664 8.0574 8.1288 8.1676 8.2597 8.2830 8.3118 8.4415 8.5260 8.6096 8.6705 8.7225 8.7756 8.8159 8.8505 8.8840 8.9609 8.9804 9.0674 9.1137 9.1363 9.2000 9.2376 9.3124</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="768">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99973 0.47861 0.00178 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.99906 0.21993 0.00120 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="243"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="96"
                          units="nonsi2:ev.angstrom-1">-0.192757 0.030798 -0.795833 -0.071386 0.065034 0.322658 -0.097713 -0.072496 -0.065747 0.145237 -0.294222 -0.148512 0.160221 0.107442 0.136550 -0.033442 -1.403395 -0.207521 0.139782 0.036815 0.328032 -0.116134 0.105958 0.193931 -0.154441 -0.088177 0.375916 -0.090196 0.101456 -0.365644 0.044758 -0.121475 0.158313 -0.207058 -0.009078 -0.855588 -0.078550 0.071591 0.310515 0.044311 -0.074654 -0.122057 -0.049259 0.088636 0.162362 0.151015 -0.014646 0.456042 0.059813 0.091028 -0.352878 0.052094 -0.190625 0.053823 0.077125 0.038826 0.231036 0.187760 -0.104102 -0.389939 -0.060854 -0.137199 -0.172170 -0.028383 0.086079 -0.015435 0.104721 -0.045471 0.036718 0.031897 0.041418 0.181264 -1.346793 0.121770 0.138262 -0.119922 -0.131632 0.063641 0.091064 0.124535 -0.140872 0.113362 -0.050705 -0.219602 -0.120777 1.300120 0.278871 0.087891 -0.017747 0.216017 0.096409 -0.080080 -0.645685 -0.117055 -0.042266 -0.133006 -0.096834 0.108450 -0.102877 0.079938 -0.112964 -0.162111 -0.178545 -0.079763 -0.025143 -0.057711 0.088438 0.009021 0.089920 0.126208 -0.162492 -0.138920 0.043932 -0.049454 0.145243 -0.189688 0.024402 0.048805 0.247082 -0.022714 1.581559 0.078449 -0.400687 -0.113584 -0.486506 -0.147405 0.717512 -0.126661 -0.549160 -0.413504 -0.470370 0.073565 -0.539046 0.171807 0.364348 -0.116858 -0.014213 0.283222 0.040276 -0.484925 0.017961 0.474755 -0.040610 -0.037141 -0.033442 0.060742 -0.448610 0.499319 -0.090165 0.379197 0.470141 -0.322806 2.045326 0.143412 0.456203 0.057604 -0.875470 0.551500 -0.267311 0.442651 -0.417103 0.627541 0.506967 -0.113780 -0.022177 0.068548 -0.014284 -0.296017 -0.103168 -0.045180 -0.154246 -0.491812 0.270085 0.529034 0.049325 0.359701 -0.272757 -0.463125 0.056204 -0.012248 -0.429692 0.298609 0.390700 0.026251 0.483254 -0.025396 0.271905 0.025846 -0.009683 0.408208 0.426362 0.019906 0.022717 -0.272112 -0.420474 -0.547765 0.020027 -0.323593 -0.137639 0.509470 0.425482 -0.060741 0.105270 0.049168 -0.008139 -0.059599 -0.141395 0.003762 0.094357 -0.214013 -0.128655 0.426165 0.175633 -0.017424 -0.448878 -0.089051 -0.245717 -0.494615 -0.405359 -0.415032 0.440252 -0.431580 -0.020178 0.207404 0.321355 0.465519 0.057542 0.012322 0.124222 0.027914 0.006368 0.068842 -0.254011 0.194354 0.015049 -0.391057 0.055134 -0.008838 -0.095392 -0.466526 0.174253 -0.250126 0.584512 -0.421593 0.164436 8.312235 -0.067455 0.069504 0.309196 -0.074312 -0.037757 -0.004310 0.079788 0.045746 -0.017776 0.164001 0.111330 0.140578 0.023828 -0.379438 -0.054851 0.139178 0.035931 0.350176 0.046318 0.054774 0.102973 -0.152292 -0.098236 0.393965 -0.091354 0.072272 -0.338398 -0.006219 -0.114718 -0.109226 -0.029332 0.006853 -0.096016 -0.049873 0.001219 0.098381 0.033814 0.003123 -0.004846 -0.089838 -0.059889 0.078547 0.153840 -0.014442 0.454704 0.047226 0.073457 -0.335763 0.062445 -0.138150 0.039018 0.048776 0.012867 0.147105 -0.075571 -0.058585 -0.259109 -0.047939 -0.134738 -0.148926 -0.020846 0.077737 0.036673 0.002991 0.074218 0.056879 0.030318 0.032794 0.028563 -0.542955 0.121580 0.048834 -0.044881 -0.060138 0.004769 0.061117 0.064972 -0.118370 0.099030 -0.035641 -0.138214 -0.042619 0.461399 0.160105 -0.017445 0.022331 -0.031913 0.091154 -0.084205 -0.651052 -0.113117 -0.049178 -0.131046 -0.075918 0.034991 -0.031523 0.070855 -0.102755 -0.152456 0.123780 -0.074047 -0.034611 -0.032024 0.025089 0.017911 0.089095 0.087992 -0.167907 -0.140897 0.051067 -0.060382 0.063922 -0.101578 0.059100 0.022304 -0.061847 0.007785 0.331494 0.071144 -0.299090 -0.085513 -0.452525 -0.012045 0.379641 -0.066588 -0.336191 -0.443523 -0.430721 0.026762 -0.385226 0.021471 0.270541 -0.119133 -0.006005 0.288310 0.033320 -0.320926 0.018657 0.244212 -0.007036 -0.052274 -0.039646 0.064133 -0.446804 0.328774 -0.110024 0.000350 0.634982 -0.389612 -7.625136 0.101721 0.455669 0.003593 -0.490575 0.277213 -0.130605 0.469837 -0.386456 0.604537 0.350535 -0.089433 0.074227 0.071092 -0.010939 -0.300120 -0.057032 -0.047917 -0.001135 -0.217231 -0.028854 0.272787 0.053853 0.357107 -0.265428 -0.315207 0.005038 0.024980 -0.080515 0.074643 0.360989 0.039857 0.458417 -0.089935 0.157911 0.019194 0.055496 0.375759 0.390891 0.090389 -0.053323 -0.047746 -0.176577 -0.550560 0.014415 -0.365983 -0.108146 0.340640 0.302150 0.034458 0.053828 0.008116 -0.010351 -0.061034 -0.145324 0.016668 0.077534 -0.082283 -0.070490 0.200623 0.153760 -0.032084 -0.455382 -0.141009 -0.140874 -0.268778 -0.104261 -0.385646 0.405050 -0.475399 0.032087 0.137304 0.248068 0.463589 0.053732 0.006845 0.084499 0.046024 -0.081798 0.007284 0.048722 0.146957 0.018487 -0.388140 0.049349 -0.019197 -0.019124 -0.182343 0.056909 -0.085894 0.346073 -0.246534 0.071721 4.339143 -0.068188 0.066540 0.311860 -0.082364 -0.049330 -0.025183 0.102855 -0.067015 -0.060148 0.162133 0.110367 0.138512 0.008620 -0.735203 -0.127147 0.139591 0.036169 0.343531 -0.011758 0.072367 0.133138 -0.152891 -0.095005 0.388162 -0.089419 0.079210 -0.349714 0.014283 -0.115590 -0.020383 -0.078423 0.000168 -0.315675 -0.058973 0.028030 0.175117 0.037175 -0.028269 -0.038628 -0.077634 -0.009452 0.105487 0.151629 -0.014605 0.455692 0.050421 0.080133 -0.340369 0.058935 -0.152035 0.049393 0.058802 0.022796 0.175567 0.012934 -0.073711 -0.302733 -0.051119 -0.133402 -0.156744 -0.021647 0.078658 0.018707 0.036687 0.035984 0.047897 0.031525 0.038519 0.075620 -0.799503 0.124575 0.069835 -0.066595 -0.082736 0.023677 0.066909 0.081810 -0.124558 0.104643 -0.045840 -0.163427 -0.068012 0.729894 0.188338 0.009618 0.008677 0.050070 0.092860 -0.082683 -0.648900 -0.114252 -0.046634 -0.130566 -0.078370 0.056434 -0.052992 0.072309 -0.105987 -0.158624 0.028599 -0.071269 -0.036224 -0.043226 0.047510 0.014447 0.087259 0.100381 -0.163382 -0.139175 0.048265 -0.057296 0.085923 -0.127773 0.049839 0.027845 0.036496 -0.005167 0.761581 0.073591 -0.340477 -0.094441 -0.463512 -0.050074 0.487123 -0.083439 -0.407870 -0.432368 -0.451226 0.040446 -0.434214 0.070544 0.306010 -0.118774 -0.007599 0.287656 0.037144 -0.363458 0.017918 0.321974 -0.017538 -0.043767 -0.036403 0.063348 -0.450530 0.362365 -0.103671 0.139576 0.474923 -0.309987 -3.480339 0.115228 0.456170 0.020506 -0.612903 0.381296 -0.180088 0.460049 -0.397020 0.612320 0.400651 -0.094800 0.037940 0.070530 -0.011789 -0.299383 -0.074234 -0.046619 -0.067876 -0.305375 0.073674 0.376702 0.052660 0.358670 -0.267977 -0.344493 0.020965 0.012314 -0.220484 0.146637 0.369934 0.035520 0.468170 -0.069025 0.193706 0.018734 0.031471 0.385246 0.409788 0.069869 -0.029033 -0.125973 -0.256934 -0.549974 0.016377 -0.344016 -0.117249 0.385369 0.342039 0.007328 0.068187 0.021327 -0.009123 -0.060629 -0.144601 0.011669 0.083338 -0.119468 -0.089138 0.291274 0.165142 -0.027115 -0.453665 -0.124445 -0.173686 -0.360308 -0.205218 -0.394564 0.416346 -0.461803 0.015862 0.156894 0.273377 0.463936 0.054660 0.008915 0.096637 0.040560 -0.052504 0.025256 -0.054637 0.165583 0.017147 -0.389567 0.050420 -0.015014 -0.041702 -0.280063 0.088580 -0.135617 0.420820 -0.205093 0.051773 2.077520 -0.066494 0.069471 0.305459 -0.070697 -0.033100 0.004271 0.069020 0.086265 0.006302 0.163827 0.112384 0.140618 0.036632 -0.245611 -0.049602 0.139082 0.036507 0.353887 0.071868 0.050304 0.091749 -0.152178 -0.098750 0.395848 -0.091157 0.064959 -0.335137 -0.010137 -0.107705 -0.130804 -0.001712 0.006988 -0.056297 -0.043152 -0.005486 0.066648 0.026249 0.010915 0.010562 -0.094607 -0.077493 0.063934 0.153318 -0.014397 0.455797 0.045720 0.071759 -0.332837 0.064926 -0.126759 0.040745 0.041477 0.007916 0.130151 -0.101757 -0.048735 -0.235989 -0.046488 -0.133311 -0.145720 -0.016781 0.075222 0.042391 -0.011399 0.088380 0.059605 0.031796 0.033453 0.010464 -0.446588 0.117858 0.045505 -0.033999 -0.050801 0.000123 0.050916 0.053430 -0.108318 0.096514 -0.033002 -0.121850 -0.029535 0.363514 0.143820 -0.030894 0.023893 -0.059658 0.089811 -0.084666 -0.652757 -0.111905 -0.050361 -0.129583 -0.064697 0.023525 -0.015054 0.066414 -0.101647 -0.153308 0.153280 -0.070380 -0.033375 -0.030873 0.017842 0.013493 0.088334 0.082979 -0.165098 -0.140991 0.052766 -0.061682 0.049195 -0.081662 0.063804 0.017028 -0.094340 0.012566 0.176635 0.063408 -0.296092 -0.085033 -0.449041 0.017463 0.298932 -0.065160 -0.328506 -0.447622 -0.430314 0.017316 -0.361347 -0.021556 0.223344 -0.119437 -0.002968 0.291024 0.031528 -0.272531 0.015664 0.207665 -0.006940 -0.050869 -0.039692 0.065018 -0.447449 0.281658 -0.113458 -0.054760 0.375235 -0.261691 -1.327102 0.098124 0.455481 -0.005879 -0.394491 0.233450 -0.134034 0.473541 -0.381348 0.597179 0.328843 -0.088047 0.088216 0.071111 -0.009256 -0.301281 -0.047810 -0.047560 0.014499 -0.176736 -0.069225 0.242312 0.054855 0.355758 -0.264668 -0.264414 -0.001403 0.027397 -0.019068 0.041391 0.353618 0.042696 0.456798 -0.099049 0.136392 0.018832 0.065100 0.370782 0.391968 0.101191 -0.062268 0.004161 -0.164972 -0.550142 0.012735 -0.368944 -0.106998 0.298372 0.273444 0.049440 0.051629 0.009177 -0.010870 -0.061233 -0.146324 0.016164 0.071122 -0.067856 -0.061708 0.149384 0.153571 -0.035257 -0.455473 -0.149838 -0.123563 -0.233819 -0.060677 -0.381336 0.399340 -0.481664 0.036107 0.125735 0.233835 0.462758 0.052429 0.006513 0.078810 0.047033 -0.092791 -0.001865 0.090102 0.145504 0.019079 -0.386531 0.047944 -0.019644 -0.010762 -0.137413 0.044672 -0.059729 0.307664 -0.089729 -0.008269 -0.038431 -0.063281 0.072048 0.297763 -0.057283 -0.013660 0.038819 0.026448 0.283636 0.083664 0.165383 0.114477 0.140649 0.075413 0.414812 0.041055 0.138521 0.036675 0.364857 0.172298 0.031402 0.047207 -0.150850 -0.102549 0.403666 -0.094487 0.046058 -0.321967 -0.033957 -0.111904 -0.257219 0.113490 0.011917 0.269725 -0.020885 -0.040778 -0.063469 0.010417 0.050107 0.075312 -0.119992 -0.160574 0.020059 0.154940 -0.015390 0.455496 0.038624 0.065194 -0.328606 0.075339 -0.099828 0.043265 0.021403 -0.010847 0.078273 -0.242601 -0.023134 -0.152776 -0.038792 -0.132271 -0.134654 -0.010406 0.071776 0.065983 -0.064178 0.149594 0.075222 0.032420 0.026839 -0.071691 -0.052017 0.103456 0.018655 0.007127 -0.010782 -0.030054 0.027674 0.014844 -0.090910 0.087582 -0.015984 -0.080387 0.017482 -0.052569 0.095347 -0.072096 0.039807 -0.186214 0.086725 -0.087225 -0.660157 -0.108906 -0.054280 -0.129852 -0.043473 -0.019392 0.028486 0.059277 -0.099259 -0.151323 0.305127 -0.068633 -0.027963 -0.022457 -0.018540 0.013301 0.091642 0.061646 -0.165435 -0.141675 0.056690 -0.067934 0.000670 -0.021610 0.080790 0.004834 -0.251468 0.036369 -0.597085 0.040689 -0.258417 -0.073501 -0.431474 0.088256 0.053753 -0.037916 -0.236257 -0.466877 -0.409366 -0.009174 -0.292096 -0.128751 0.118982 -0.116920 0.001651 0.294997 0.024471 -0.164024 0.017383 0.071600 -0.006776 -0.059436 -0.043542 0.066738 -0.447806 0.158721 -0.122350 -0.295634 0.201499 -0.170822 0.676609 0.077443 0.456078 -0.037098 -0.126933 0.090857 -0.073246 0.491590 -0.362114 0.574878 0.253546 -0.066679 0.142807 0.069162 -0.007043 -0.304468 -0.018294 -0.048567 0.087268 -0.029383 -0.233801 0.117419 0.057935 0.354022 -0.260729 -0.150463 -0.025968 0.039358 0.297656 -0.077531 0.355991 0.051615 0.442304 -0.134119 0.073358 0.020096 0.102870 0.352576 0.373923 0.135359 -0.102799 0.155883 -0.065084 -0.551449 0.008659 -0.390473 -0.091246 0.180618 0.181920 0.091897 0.037891 -0.011368 -0.013155 -0.062742 -0.148654 0.021219 0.056594 -0.003274 -0.030865 -0.072107 0.150995 -0.045291 -0.460273 -0.181792 -0.065511 -0.121689 0.106099 -0.364044 0.378658 -0.504100 0.057307 0.081429 0.179543 0.463192 0.050068 0.004060 0.060882 0.054359 -0.141193 -0.022706 0.263224 0.116970 0.022013 -0.385609 0.045017 -0.026558 0.022456 0.025940 -0.008487 0.027378 0.184678 -0.097183 -0.001860 0.117374 -0.063720 0.073398 0.296994 -0.055155 -0.015010 0.039034 0.018566 0.255592 0.100137 0.166430 0.114684 0.141848 0.073582 0.400912 0.064657 0.138258 0.036577 0.366685 0.163928 0.022740 0.041448 -0.150456 -0.104361 0.406659 -0.090601 0.043054 -0.318316 -0.030326 -0.098345 -0.222204 0.091620 0.011936 0.252612 -0.012285 -0.041363 -0.065368 -0.000591 0.047988 0.055722 -0.111511 -0.129259 0.014454 0.153207 -0.015150 0.458266 0.039905 0.061874 -0.324908 0.068616 -0.085601 0.041092 0.012194 -0.014657 0.067057 -0.210982 -0.010760 -0.123741 -0.039915 -0.131204 -0.134303 -0.004076 0.068714 0.066174 -0.061422 0.125042 0.073718 0.036796 0.026540 -0.085708 -0.005418 0.096807 0.012732 0.006217 -0.011877 -0.040115 0.022343 0.003624 -0.072779 0.086903 -0.011997 -0.068510 0.020195 -0.073146 0.094496 -0.063510 0.031838 -0.162609 0.085997 -0.087590 -0.661196 -0.108204 -0.055506 -0.126420 -0.035129 -0.021125 0.028295 0.055706 -0.096245 -0.151270 0.275116 -0.060159 -0.022477 -0.025265 -0.018726 -0.001702 0.087703 0.062049 -0.162124 -0.142219 0.057779 -0.066552 -0.001118 -0.005890 0.077077 -0.000888 -0.227351 0.044314 -0.550421 0.038711 -0.221851 -0.080783 -0.427152 0.102438 0.033202 -0.031342 -0.211630 -0.469298 -0.427866 -0.015277 -0.259091 -0.120125 0.098872 -0.118035 0.004266 0.296485 0.020026 -0.131901 0.020145 0.055865 0.004635 -0.061565 -0.042625 0.067301 -0.446469 0.135065 -0.111875 -0.277292 0.190002 -0.166914 0.482029 0.082035 0.453797 -0.042228 -0.102455 0.065906 -0.045629 0.494277 -0.358916 0.567443 0.238377 -0.046359 0.138469 0.070392 -0.006203 -0.304811 -0.011739 -0.042483 0.108048 -0.010328 -0.226909 0.076050 0.059603 0.351145 -0.260222 -0.125191 -0.030122 0.041941 0.219893 -0.083786 0.318398 0.052836 0.438263 -0.137882 0.049634 0.020298 0.094451 0.345996 0.392792 0.141762 -0.091225 0.137848 -0.046726 -0.550322 0.006040 -0.398290 -0.085623 0.145597 0.155218 0.097820 0.029283 -0.014244 -0.012734 -0.063234 -0.148877 0.020139 0.048223 -0.001137 -0.028454 -0.067268 0.127343 -0.046824 -0.457908 -0.187075 -0.048730 -0.087287 0.107476 -0.358182 0.374178 -0.504001 0.047906 0.057332 0.171318 0.461823 0.049108 0.004520 0.056536 0.046771 -0.133037 -0.027644 0.248150 0.103703 0.021750 -0.383084 0.045312 -0.026093 0.029285 0.041397 -0.000689 0.037836 0.164881 -0.130068 0.023236 0.582906 -0.069579 0.077341 0.292878 -0.043254 -0.012503 0.038495 -0.007132 0.170971 0.143869 0.168651 0.115829 0.144022 0.073872 0.368034 0.135686 0.137423 0.036608 0.370789 0.122268 0.000208 0.026330 -0.150089 -0.108746 0.414729 -0.085354 0.026507 -0.309166 -0.013447 -0.055814 -0.117856 0.028243 0.010390 0.208811 0.013089 -0.039638 -0.063923 -0.020469 0.036124 0.010481 -0.075676 -0.036226 -0.005402 0.159189 -0.014943 0.459915 0.042163 0.052828 -0.315501 0.040222 -0.047880 0.041041 -0.014953 -0.025546 0.036413 -0.116763 0.023663 -0.027711 -0.042705 -0.127191 -0.133820 0.017770 0.061090 0.058938 -0.048372 0.054772 0.069152 0.045730 0.025155 -0.126570 0.137024 0.078568 -0.007690 0.003779 -0.005926 -0.064228 0.004105 -0.030694 -0.014475 0.078295 0.002975 -0.038269 0.028723 -0.134812 0.091496 -0.042209 0.012124 -0.090720 0.083207 -0.088606 -0.666636 -0.106993 -0.062983 -0.124561 -0.008219 -0.031321 0.034458 0.043742 -0.087293 -0.152739 0.177437 -0.031878 -0.009339 -0.039973 -0.017385 -0.048048 0.083087 0.060384 -0.150107 -0.143630 0.065353 -0.071555 -0.010957 0.040504 0.070826 -0.019777 -0.153797 0.063081 -0.407764 0.026394 -0.116610 -0.090263 -0.411362 0.140964 -0.015377 -0.012681 -0.122910 -0.479579 -0.415940 -0.036884 -0.170165 -0.087365 0.031856 -0.117092 0.009565 0.296292 0.005325 -0.028155 0.028901 0.007565 0.034393 -0.068343 -0.047566 0.069162 -0.419043 0.022475 -0.086494 -0.241160 0.172249 -0.149307 -0.101273 0.086426 0.445917 -0.060709 -0.010363 0.005923 0.034964 0.501184 -0.348220 0.545310 0.194726 -0.020365 0.130078 0.069369 -0.004164 -0.307761 0.012037 -0.023605 0.153732 0.053777 -0.207584 -0.025480 0.063028 0.349199 -0.259996 -0.029322 -0.040692 0.047843 -0.014562 -0.112196 0.224862 0.056819 0.424807 -0.153674 -0.015874 0.018871 0.058120 0.329517 0.380422 0.159783 -0.057250 0.090709 0.003887 -0.550197 0.001421 -0.422386 -0.070978 0.031044 0.079834 0.116052 -0.001254 -0.018936 -0.012999 -0.064314 -0.149618 0.020185 0.027002 0.003234 -0.018833 -0.047704 0.060193 -0.052573 -0.449085 -0.206450 -0.001358 -0.018943 0.114612 -0.341814 0.360891 -0.508047 0.022368 0.017311 0.132758 0.458998 0.047028 0.002883 0.041800 0.024805 -0.093935 -0.038637 0.193621 0.058808 0.021737 -0.381333 0.044755 -0.026852 0.046902 0.095825 0.015380 0.075890 0.107722 -0.244972 0.100689 1.515863 -0.080070 0.084220 0.288469 -0.021303 -0.009174 0.034051 -0.059883 0.004208 0.238486 0.171995 0.118151 0.151160 0.075030 0.297687 0.297069 0.135912 0.036998 0.379317 0.006683 -0.067172 -0.005167 -0.149360 -0.114769 0.431449 -0.073666 -0.006931 -0.290837 0.016968 0.037862 0.097431 -0.118031 0.000774 0.122044 0.071892 -0.030953 -0.071383 -0.065664 0.008893 -0.092095 -0.012107 0.173330 -0.038873 0.167084 -0.014340 0.464783 0.046599 0.036184 -0.300081 -0.013842 0.019444 0.051152 -0.076164 -0.046652 -0.029547 0.068790 0.088900 0.180609 -0.047997 -0.118315 -0.134799 0.062157 0.045158 0.041892 -0.023538 -0.070572 0.060012 0.064554 0.025727 -0.232737 0.444392 0.042835 -0.037159 0.002389 0.005912 -0.119519 -0.036803 -0.104303 0.100027 0.062912 0.028331 0.016613 0.043710 -0.251949 0.095070 0.004991 -0.029018 0.031368 0.078197 -0.090224 -0.674599 -0.104920 -0.075635 -0.116798 0.050020 -0.048478 0.037224 0.020887 -0.070535 -0.159864 -0.004281 0.039411 0.016880 -0.070058 -0.010665 -0.145458 0.071207 0.057756 -0.123075 -0.145192 0.078686 -0.077712 -0.027679 0.135349 0.052914 -0.058145 -0.005352 0.109995 -0.132272 -0.000875 0.116206 -0.111659 -0.383935 0.204976 -0.121212 0.025852 0.061571 -0.494812 -0.416097 -0.078101 0.042487 -0.014208 -0.108528 -0.115778 0.020051 0.290010 -0.020244 0.204403 0.034313 -0.087877 0.089224 -0.063052 -0.056236 0.074050 -0.375427 -0.212387 -0.030852 -0.159692 0.188322 -0.153464 -1.274596 0.097986 0.435574 -0.095918 0.185029 -0.150059 0.185569 0.511564 -0.325024 0.497857 0.114009 0.041336 0.106368 0.068866 -0.000017 -0.314623 0.059863 0.011796 0.227582 0.184453 -0.182521 -0.209673 0.070765 0.345245 -0.259427 0.186599 -0.060259 0.048996 -0.518287 -0.164112 0.049947 0.063918 0.401127 -0.184062 -0.141658 0.020920 -0.021991 0.302991 0.381385 0.195080 0.009979 -0.008499 0.104383 -0.547126 -0.007001 -0.468444 -0.045135 -0.213270 -0.069607 0.147870 -0.058552 -0.035335 -0.014255 -0.067385 -0.151404 0.013330 -0.019099 0.012578 -0.009858 -0.006259 -0.065083 -0.062843 -0.435340 -0.242320 0.090764 0.141387 0.121235 -0.313854 0.334026 -0.511890 -0.026137 -0.091080 0.047989 0.453526 0.043032 -0.000898 0.013764 -0.023561 -0.008827 -0.060876 0.066642 -0.031421 0.022679 -0.377012 0.044025 -0.029525 0.090973 0.214348 0.060572 0.159989 0.003106 -0.179187 0.057219 1.049460 -0.074903 0.080698 0.289966 -0.033132 -0.010619 0.036481 -0.034565 0.087285 0.187180 0.169737 0.117275 0.146797 0.074400 0.334038 0.213085 0.136380 0.036877 0.374901 0.073023 -0.034396 0.008188 -0.149807 -0.111813 0.422760 -0.079132 0.010064 -0.300506 0.003344 -0.010355 -0.012857 -0.041320 0.007539 0.164470 0.042208 -0.035747 -0.066163 -0.043791 0.022825 -0.038383 -0.042872 0.064071 -0.024394 0.162404 -0.014523 0.462268 0.043728 0.044769 -0.307372 0.014568 -0.012986 0.042621 -0.046518 -0.035612 0.003790 -0.023381 0.056614 0.073628 -0.045090 -0.122415 -0.134248 0.039774 0.053110 0.050473 -0.036471 -0.009540 0.064498 0.054827 0.024631 -0.175975 0.286345 0.060710 -0.022908 0.002612 0.000374 -0.091459 -0.017340 -0.066668 0.042124 0.071153 0.016312 -0.010551 0.036288 -0.194947 0.092030 -0.019002 -0.008258 -0.027260 0.080184 -0.089519 -0.671085 -0.105964 -0.069196 -0.120778 0.020213 -0.039657 0.036287 0.031883 -0.078853 -0.155941 0.086962 -0.001251 0.000798 -0.054564 -0.015177 -0.095379 0.076660 0.059230 -0.137238 -0.144263 0.072096 -0.074686 -0.019124 0.086524 0.062912 -0.040314 -0.079399 0.085925 -0.266623 0.010406 -0.003387 -0.100887 -0.397323 0.172901 -0.067363 0.004585 -0.037724 -0.487794 -0.418994 -0.056547 -0.072658 -0.051965 -0.032862 -0.116537 0.015047 0.294308 -0.005700 0.086206 0.033861 -0.040217 0.064735 -0.067483 -0.051268 0.071336 -0.398377 -0.092375 -0.059924 -0.200123 0.170898 -0.151779 -0.682245 0.091451 0.440057 -0.077157 0.077874 -0.062708 0.108722 0.506592 -0.337929 0.521730 0.161296 0.011467 0.119906 0.068755 -0.002211 -0.310650 0.034488 -0.006794 0.190857 0.119040 -0.195346 -0.117238 0.066324 0.346776 -0.259808 0.074001 -0.052320 0.050411 -0.260957 -0.138204 0.134291 0.060233 0.412890 -0.168096 -0.075951 0.021609 0.024321 0.315176 0.384223 0.177501 -0.025622 0.048661 0.051958 -0.548911 -0.002736 -0.442655 -0.058965 -0.085934 0.005227 0.134771 -0.027811 -0.027143 -0.013312 -0.065439 -0.149970 0.015661 0.006014 0.006353 -0.010524 -0.029455 -0.002177 -0.058032 -0.441687 -0.223572 0.044881 0.055828 0.116855 -0.327694 0.348604 -0.509863 0.000045 -0.040631 0.091557 0.455971 0.045386 0.001333 0.027653 0.000696 -0.053679 -0.050905 0.135014 0.016712 0.021446 -0.378654 0.045121 -0.027845 0.069403 0.155368 0.037633 0.117568 0.058004 0.013881 -0.034069 -0.607675 -0.079054 0.083769 0.287134 -0.025703 -0.012027 0.026239 -0.041440 0.010927 0.184014 0.173089 0.117772 0.150477 0.064348 0.189615 0.206047 0.136404 0.036887 0.374943 0.021723 -0.043836 0.006143 -0.149745 -0.115343 0.426219 -0.075364 0.003253 -0.294539 0.003994 0.020826 0.064973 -0.077033 0.006467 0.076875 0.039339 -0.024088 -0.045413 -0.040046 0.009811 -0.049892 -0.021701 0.100013 -0.020916 0.165617 -0.014057 0.462775 0.048194 0.039904 -0.303697 -0.006366 0.006073 0.038950 -0.046055 -0.030295 -0.007518 0.043457 0.067190 0.107572 -0.050111 -0.119373 -0.135487 0.050949 0.047381 0.034757 -0.022722 -0.041990 0.059251 0.049177 0.025200 -0.171130 0.251774 0.051181 -0.034974 -0.006791 -0.000020 -0.083291 -0.020135 -0.060321 0.074738 0.065542 0.021263 0.001094 0.038735 -0.164870 0.089737 -0.004215 -0.021127 0.024521 0.079860 -0.089350 -0.672473 -0.106592 -0.072837 -0.119013 0.030949 -0.043365 0.033923 0.026969 -0.072289 -0.151783 0.016173 0.015964 0.017100 -0.048476 -0.006909 -0.092300 0.073235 0.060910 -0.124281 -0.146961 0.075944 -0.077232 -0.018295 0.079322 0.053473 -0.042151 -0.009419 0.095878 -0.114750 0.014051 0.060541 -0.110268 -0.390482 0.178750 -0.076199 0.014656 0.003315 -0.485979 -0.419519 -0.063920 -0.009580 -0.032285 -0.054771 -0.116333 0.017195 0.291734 -0.015620 0.118052 0.031402 -0.033864 0.093035 -0.051632 -0.052595 0.073153 -0.380018 -0.121911 -0.031147 -0.126425 -0.057703 -0.029457 0.979558 0.100185 0.431774 -0.084605 0.097104 -0.087079 0.100990 0.504208 -0.335990 0.514453 0.137633 0.024066 0.096474 0.068658 -0.000995 -0.313163 0.041275 0.003109 0.187718 0.112985 -0.170188 -0.157459 0.067827 0.346568 -0.259618 0.104749 -0.049355 0.038799 -0.322870 -0.123341 0.082689 0.057198 0.406802 -0.166699 -0.095153 0.011230 -0.002102 0.308380 0.383835 0.182414 0.004858 0.006087 0.051986 -0.547806 -0.004236 -0.464561 -0.051705 -0.123493 -0.020345 0.126443 -0.054295 -0.016241 -0.012672 -0.066609 -0.149863 0.011830 -0.012919 0.005637 -0.017757 0.026556 -0.035342 -0.056027 -0.431708 -0.226697 0.060862 0.090621 0.075062 -0.320843 0.345556 -0.504126 -0.019024 -0.060387 0.076023 0.453498 0.044223 0.000449 0.022235 -0.012584 -0.010108 -0.062254 0.085642 -0.003477 0.020786 -0.378098 0.045179 -0.025522 0.071108 0.143373 0.061272 0.112763 0.039407 -0.013421 -0.021333 -0.391965 -0.078033 0.083332 0.287983 -0.027666 -0.012354 0.027883 -0.039759 0.024383 0.184672 0.172654 0.117660 0.150343 0.068666 0.213191 0.208845 0.136269 0.036795 0.375335 0.031218 -0.042187 0.006480 -0.149708 -0.115003 0.426142 -0.075311 0.004865 -0.295012 0.003713 0.015351 0.054042 -0.073243 0.006636 0.090318 0.039401 -0.027421 -0.048857 -0.041921 0.012918 -0.049802 -0.026845 0.095021 -0.021119 0.164535 -0.014141 0.463733 0.047630 0.040292 -0.303971 -0.002425 0.003983 0.040316 -0.046123 -0.031202 -0.005432 0.033525 0.065625 0.102510 -0.049504 -0.120132 -0.134929 0.049160 0.048163 0.037405 -0.025469 -0.037537 0.060233 0.050331 0.025041 -0.172800 0.259232 0.052314 -0.033443 -0.005422 -0.000688 -0.084926 -0.019209 -0.061503 0.069662 0.067289 0.020205 0.000024 0.038559 -0.170157 0.088905 -0.005977 -0.019404 0.017129 0.079910 -0.089465 -0.671828 -0.106507 -0.072030 -0.118131 0.028897 -0.042652 0.034006 0.027928 -0.073264 -0.151951 0.027445 0.012708 0.014906 -0.049156 -0.008150 -0.091937 0.072844 0.060800 -0.126016 -0.146637 0.074965 -0.075575 -0.018433 0.080405 0.054792 -0.041115 -0.019252 0.095324 -0.137174 0.014356 0.051529 -0.110872 -0.391929 0.178960 -0.077486 0.015472 0.002127 -0.485747 -0.426854 -0.062541 -0.013949 -0.034143 -0.052989 -0.116391 0.016775 0.292410 -0.014164 0.116066 0.029594 -0.035976 0.085423 -0.051197 -0.052217 0.072840 -0.382583 -0.120395 -0.033085 -0.131957 -0.025340 -0.044127 0.768249 0.100320 0.432714 -0.083641 0.098244 -0.088165 0.102641 0.504239 -0.336608 0.516517 0.134400 0.028405 0.096049 0.068636 -0.001343 -0.312363 0.040924 0.001830 0.190397 0.114565 -0.171178 -0.158945 0.067815 0.346454 -0.259549 0.104225 -0.049054 0.042040 -0.316403 -0.123046 0.082572 0.057465 0.407881 -0.166468 -0.095772 0.011234 -0.000526 0.309152 0.391449 0.182022 0.003225 0.009819 0.053946 -0.547896 -0.004111 -0.461258 -0.050265 -0.120732 -0.020337 0.122505 -0.048179 -0.016447 -0.012821 -0.066586 -0.149669 0.011984 -0.011356 0.006911 -0.016737 0.017468 -0.033909 -0.056265 -0.433021 -0.226015 0.062214 0.091321 0.078964 -0.321830 0.346238 -0.504865 -0.017901 -0.064328 0.073371 0.453657 0.044372 0.001071 0.021740 -0.011618 -0.012965 -0.060002 0.089565 -0.003037 0.020894 -0.378210 0.045441 -0.023481 0.069231 0.145380 0.055560 0.111982 0.037776 -0.026524 -0.005387 -0.199042 -0.080533 0.084375 0.282086 -0.022487 -0.014546 0.015492 -0.038715 -0.031860 0.155115 0.175441 0.117814 0.152607 0.050395 0.071190 0.175536 0.136643 0.036778 0.373085 -0.012726 -0.039570 0.005921 -0.149574 -0.117727 0.425403 -0.072467 0.002607 -0.290545 -0.003812 0.035232 0.099166 -0.074937 0.000684 0.013744 0.021069 -0.011234 -0.021558 -0.025629 0.000425 -0.039998 -0.008311 0.090212 -0.008154 0.166193 -0.014182 0.462872 0.051070 0.038495 -0.302297 -0.019446 0.016023 0.030868 -0.030456 -0.016906 -0.009258 0.073527 0.065850 0.102407 -0.053592 -0.116856 -0.136583 0.054509 0.042803 0.018361 -0.011396 -0.054375 0.054267 0.036277 0.023380 -0.139832 0.147242 0.044125 -0.044728 -0.015233 -0.002343 -0.061638 -0.017018 -0.035158 0.087893 0.063157 0.021288 0.001985 0.037214 -0.111418 0.087422 0.004805 -0.027922 0.057470 0.079943 -0.089354 -0.672587 -0.107476 -0.074085 -0.117741 0.030762 -0.043746 0.030203 0.025802 -0.068764 -0.144334 -0.021869 0.019390 0.030590 -0.034909 -0.000311 -0.059983 0.070884 0.062840 -0.112909 -0.148623 0.076701 -0.078618 -0.016504 0.048332 0.044627 -0.033700 0.034047 0.099757 -0.042782 0.016416 0.097612 -0.118968 -0.387065 0.168582 -0.060847 0.016883 0.021962 -0.476982 -0.432350 -0.061062 0.011687 -0.007363 -0.037681 -0.116140 0.016974 0.290477 -0.018321 0.099884 0.029203 -0.012257 0.114902 -0.036534 -0.050757 0.073821 -0.370636 -0.105432 -0.015308 -0.060210 0.005878 -0.048486 0.534386 0.109736 0.422164 -0.083716 0.052488 -0.073223 0.081661 0.495752 -0.340830 0.517047 0.126378 0.038452 0.073940 0.068410 -0.001108 -0.314004 0.038499 0.007715 0.170787 0.079095 -0.142556 -0.164315 0.066919 0.346257 -0.259781 0.092509 -0.045316 0.030429 -0.257536 -0.099461 0.052150 0.051398 0.402664 -0.155617 -0.087142 -0.001121 -0.013418 0.305038 0.395329 0.181362 0.022031 -0.024751 0.038335 -0.547443 -0.004009 -0.469249 -0.052482 -0.105676 -0.026057 0.105601 -0.067355 0.000607 -0.010760 -0.067624 -0.148702 0.006925 -0.021691 0.005704 -0.022044 0.062242 -0.050656 -0.050992 -0.422089 -0.220235 0.061623 0.089931 0.032206 -0.318283 0.348986 -0.494543 -0.027704 -0.065075 0.076978 0.451427 0.043747 0.001480 0.026694 -0.015492 0.015396 -0.069505 0.058280 -0.006243 0.018891 -0.378240 0.046323 -0.020908 0.064975 0.104261 0.071306 0.089723 0.034698 -0.054091 0.025924 0.117881 -0.084654 0.086455 0.273360 -0.013946 -0.019296 -0.005985 -0.043614 -0.126931 0.104499 0.180949 0.117894 0.157807 0.007785 -0.187108 0.111790 0.137813 0.036645 0.369660 -0.087210 -0.033752 0.004519 -0.148940 -0.122364 0.425206 -0.066991 -0.000624 -0.282486 -0.018829 0.075135 0.180120 -0.080108 -0.007684 -0.107242 -0.007171 0.015840 0.021249 0.001451 -0.017453 -0.025368 0.018305 0.084002 0.015908 0.169698 -0.014121 0.462379 0.058728 0.035121 -0.300392 -0.047453 0.037589 0.012999 -0.006789 0.005230 -0.015793 0.142868 0.062715 0.101356 -0.061235 -0.111611 -0.138983 0.063901 0.033703 -0.015632 0.009145 -0.082273 0.045343 0.013243 0.019424 -0.083915 -0.023424 0.028749 -0.063026 -0.031591 -0.006258 -0.023269 -0.011411 0.009574 0.117262 0.057322 0.023036 0.006781 0.035061 -0.013485 0.081808 0.023538 -0.043089 0.122935 0.081085 -0.088871 -0.672581 -0.109016 -0.077557 -0.115518 0.033483 -0.045662 0.022678 0.023667 -0.061463 -0.131471 -0.102281 0.027622 0.059356 -0.007817 0.014544 -0.004462 0.067374 0.066758 -0.091817 -0.152175 0.079700 -0.082146 -0.011355 -0.003638 0.027438 -0.023567 0.132683 0.102890 0.122946 0.025115 0.177655 -0.134949 -0.381538 0.150411 -0.040459 0.020805 0.055739 -0.462748 -0.448598 -0.059765 0.052465 0.037222 -0.013318 -0.115603 0.017138 0.287597 -0.025153 0.078160 0.022588 0.030182 0.156034 -0.006776 -0.048390 0.075586 -0.348113 -0.082476 0.027483 0.067896 0.051122 -0.057449 0.184919 0.128081 0.405740 -0.085396 -0.011640 -0.060250 0.042996 0.483450 -0.347351 0.519075 0.113064 0.059508 0.028151 0.068959 -0.000769 -0.316684 0.039114 0.022159 0.126297 0.018340 -0.087268 -0.179942 0.066738 0.346029 -0.259921 0.075704 -0.037762 0.010690 -0.187912 -0.059480 -0.002401 0.041534 0.396340 -0.138062 -0.080278 -0.021427 -0.033698 0.300015 0.409641 0.179245 0.059419 -0.084344 0.014114 -0.545515 -0.003880 -0.488751 -0.044943 -0.090594 -0.033499 0.075716 -0.090418 0.033067 -0.007139 -0.069605 -0.146758 0.000158 -0.043164 0.004544 -0.031710 0.132882 -0.078118 -0.041316 -0.404460 -0.211147 0.061556 0.098531 -0.049020 -0.312983 0.353388 -0.478863 -0.047698 -0.078172 0.072398 0.448216 0.042661 0.002043 0.029230 -0.025086 0.070976 -0.081691 0.010796 -0.016966 0.016297 -0.378322 0.047754 -0.007875 0.051018 0.037026 0.096423 0.048597 0.026878 -0.069843 0.042549 0.261487 -0.086534 0.087277 0.268470 -0.010722 -0.021097 -0.016277 -0.045146 -0.165852 0.085590 0.182715 0.118218 0.159381 -0.009367 -0.310801 0.090174 0.137814 0.036984 0.367807 -0.120528 -0.025935 0.006892 -0.149043 -0.123765 0.424442 -0.064558 -0.001960 -0.279155 -0.025032 0.089783 0.216706 -0.083071 -0.011209 -0.158590 -0.021373 0.029382 0.041239 0.010983 -0.025498 -0.019778 0.030946 0.082934 0.025528 0.170332 -0.013840 0.461681 0.061382 0.034575 -0.300279 -0.059555 0.047339 0.006965 0.005188 0.017012 -0.019381 0.172738 0.061654 0.100680 -0.064850 -0.108079 -0.140437 0.067612 0.029516 -0.032091 0.017256 -0.095388 0.041204 0.002501 0.018597 -0.058043 -0.098364 0.021593 -0.071173 -0.039695 -0.007551 -0.006086 -0.010058 0.030880 0.129716 0.054379 0.024326 0.007239 0.033158 0.032143 0.079321 0.032133 -0.050232 0.151867 0.081175 -0.088384 -0.672814 -0.110228 -0.078514 -0.114501 0.035216 -0.045625 0.018271 0.022066 -0.058107 -0.125865 -0.140967 0.031780 0.072179 0.006383 0.022447 0.022577 0.064927 0.068800 -0.083145 -0.153745 0.081008 -0.084250 -0.010292 -0.026632 0.019824 -0.019435 0.177400 0.106499 0.204343 0.028677 0.217334 -0.141865 -0.377303 0.141124 -0.030179 0.019342 0.071820 -0.456157 -0.457960 -0.059277 0.076511 0.056389 -0.004291 -0.115863 0.017470 0.286059 -0.028759 0.068889 0.020698 0.051305 0.175302 0.004769 -0.047483 0.076675 -0.338968 -0.071398 0.046810 0.118613 0.073471 -0.059242 0.030463 0.135202 0.398599 -0.086129 -0.042729 -0.052628 0.023025 0.476789 -0.350311 0.519943 0.107747 0.070178 0.011097 0.068700 -0.000492 -0.318077 0.040229 0.032026 0.105771 -0.005445 -0.064612 -0.184271 0.066000 0.345947 -0.260221 0.065640 -0.036162 0.002149 -0.158190 -0.042347 -0.027604 0.036755 0.392284 -0.129540 -0.078965 -0.031795 -0.043162 0.295889 0.418366 0.177921 0.075382 -0.111287 0.001815 -0.545100 -0.003485 -0.493291 -0.040400 -0.084294 -0.042133 0.064380 -0.106244 0.044824 -0.005851 -0.070302 -0.145945 -0.004223 -0.053277 0.004117 -0.037123 0.162414 -0.090606 -0.037604 -0.396159 -0.207190 0.062243 0.101389 -0.087878 -0.309814 0.355826 -0.470991 -0.054437 -0.087471 0.073029 0.446035 0.042679 0.002392 0.032338 -0.029704 0.095944 -0.090460 -0.016482 -0.021732 0.014499 -0.377808 0.048536 -0.000756 0.044976 0.001780 0.112846 0.027404 0.024216 -0.023428 0.014798 0.005902 -0.087555 0.087373 0.262665 -0.005865 -0.020046 -0.013947 -0.022633 -0.124022 0.048964 0.185715 0.118357 0.163154 -0.027330 -0.220771 0.053968 0.138500 0.037296 0.366247 -0.063147 0.002151 0.003587 -0.149005 -0.125847 0.424209 -0.068720 -0.003083 -0.272865 -0.026472 0.066686 0.162577 -0.043325 -0.015850 -0.144380 -0.030320 0.026287 0.038547 0.019793 -0.021004 0.017585 0.029201 0.025963 0.029754 0.171972 -0.014443 0.459288 0.064000 0.036229 -0.295419 -0.051033 0.043237 0.002946 0.011284 0.018613 -0.022605 0.120340 0.039929 0.069902 -0.068280 -0.108135 -0.141798 0.066341 0.026273 -0.039610 0.016666 -0.065710 0.030173 -0.012255 0.010540 -0.007166 -0.114164 0.012873 -0.075954 -0.033054 -0.007794 0.021741 -0.004708 0.048419 0.109113 0.050075 0.026209 0.006441 0.021943 0.030443 0.058656 0.018729 -0.044250 0.136714 0.082236 -0.088562 -0.670540 -0.111491 -0.079454 -0.115669 0.021832 -0.037594 0.021389 0.023995 -0.058896 -0.117026 -0.094709 0.011248 0.069792 0.022966 0.018168 0.071977 0.070537 0.066849 -0.072459 -0.156553 0.081475 -0.086877 -0.014017 -0.049160 0.013759 -0.000904 0.146829 0.093348 0.116015 0.033624 0.194580 -0.140368 -0.378206 0.120807 -0.040288 0.022811 0.073596 -0.444711 -0.457554 -0.045482 0.052974 0.049733 0.005111 -0.114131 0.016094 0.285184 -0.020527 0.041833 0.019979 0.061337 0.151095 0.026819 -0.045045 0.077109 -0.331507 -0.038851 0.053670 0.119897 0.064892 -0.046266 0.265919 0.134308 0.388712 -0.081089 -0.040948 -0.052785 0.024281 0.467210 -0.352326 0.528574 0.066024 0.065107 0.011886 0.067470 -0.000244 -0.319097 0.022218 0.028198 0.062749 -0.033318 -0.061335 -0.164438 0.064115 0.346030 -0.259199 0.042121 -0.031483 -0.007360 -0.067852 -0.027916 -0.008661 0.033372 0.392960 -0.118863 -0.049025 -0.041888 -0.017848 0.296257 0.416830 0.182658 0.054273 -0.068551 -0.006301 -0.543816 -0.002205 -0.503185 -0.044114 -0.043828 -0.035586 0.043538 -0.080595 0.058593 -0.003821 -0.071568 -0.143983 -0.011761 -0.055035 0.019954 -0.042173 0.110576 -0.074505 -0.034952 -0.386538 -0.196363 0.046714 0.092488 -0.081029 -0.310962 0.358439 -0.464257 -0.051922 -0.073793 0.068168 0.444087 0.041850 0.002618 0.039138 -0.026352 0.094169 -0.088370 0.005188 -0.009695 0.012682 -0.378356 0.048903 0.010156 0.030388 -0.028378 0.100892 0.002464 0.016296 0.119599 -0.071593 -0.624945 -0.088997 0.087237 0.246769 0.005747 -0.018965 -0.007719 0.022096 -0.030646 -0.041063 0.191953 0.118914 0.172018 -0.065451 0.008495 -0.037895 0.140257 0.038162 0.361444 0.111277 0.073154 -0.004058 -0.149464 -0.129771 0.421345 -0.079461 -0.004697 -0.258556 -0.032691 0.018875 0.029294 0.061244 -0.027710 -0.113933 -0.053320 0.021115 0.032261 0.041030 -0.012551 0.110519 0.020156 -0.111302 0.042056 0.173895 -0.015043 0.454395 0.068877 0.042400 -0.284589 -0.025424 0.033401 -0.004563 0.038426 0.026463 -0.032427 -0.014165 -0.011094 -0.005700 -0.075736 -0.106173 -0.145743 0.064002 0.019556 -0.058308 0.013961 0.009092 -0.007099 -0.051669 -0.011381 0.125025 -0.138565 -0.017285 -0.082369 -0.014377 -0.004826 0.090429 0.007561 0.094012 0.056408 0.038965 0.031235 -0.001704 -0.005226 0.022892 0.007508 -0.014353 -0.026969 0.096840 0.084461 -0.088327 -0.664589 -0.114961 -0.079900 -0.117859 -0.010278 -0.015897 0.027779 0.026927 -0.060516 -0.095987 0.017325 -0.047853 0.065429 0.065730 0.006411 0.199600 0.082867 0.063447 -0.050792 -0.161817 0.081825 -0.092853 -0.028140 -0.102771 -0.003169 0.038863 0.062621 0.055102 -0.126300 0.042305 0.139202 -0.140377 -0.373427 0.070861 -0.065869 0.031341 0.066366 -0.413941 -0.479197 -0.009615 -0.012306 0.030579 0.015082 -0.111325 0.014116 0.281835 0.001590 -0.030146 0.014395 0.086292 0.103422 0.073474 -0.038757 0.078460 -0.316471 0.041318 0.061518 0.126674 0.000464 -0.012952 0.843670 0.133610 0.366096 -0.068400 -0.038860 -0.050075 0.027910 0.441345 -0.356837 0.549349 -0.058231 0.056826 0.012391 0.065469 0.001094 -0.321392 -0.017816 0.025551 -0.033101 -0.102666 -0.047634 -0.099833 0.059160 0.345684 -0.256106 -0.014109 -0.022130 -0.024619 0.180721 0.011058 0.050907 0.022333 0.388514 -0.088373 0.020877 -0.072225 0.039396 0.292672 0.436747 0.192176 -0.004095 0.038762 -0.031763 -0.541806 0.000205 -0.513731 -0.053210 0.050652 -0.015096 -0.002163 -0.015597 0.092609 0.001388 -0.074557 -0.140613 -0.030440 -0.058606 0.058444 -0.049486 -0.018234 -0.027047 -0.026657 -0.363503 -0.168404 0.007725 0.061832 -0.064396 -0.310510 0.364227 -0.446052 -0.044532 -0.055226 0.054692 0.439014 0.040099 0.003937 0.055204 -0.008307 0.087243 -0.074240 0.064140 0.020756 0.007406 -0.378388 0.049963 0.033776 -0.010959 -0.101672 0.076207 -0.049268 -0.002942 -0.009903 -0.001223 0.069649 -0.089077 0.086866 0.242993 0.007893 -0.020015 -0.001388 0.034559 -0.004123 -0.059640 0.193099 0.118759 0.174514 -0.069369 0.075335 -0.040887 0.140393 0.038361 0.360139 0.130605 0.082233 -0.000259 -0.149410 -0.130424 0.420650 -0.083218 -0.003600 -0.254939 -0.023478 0.004371 0.000317 0.067871 -0.025119 -0.095784 -0.044224 0.015045 0.028391 0.040485 -0.009137 0.117807 0.015949 -0.121625 0.038711 0.173036 -0.015317 0.452970 0.069611 0.044952 -0.278269 -0.014736 0.029667 -0.004160 0.031770 0.023539 -0.029756 -0.045855 -0.022708 -0.022471 -0.077377 -0.106795 -0.146752 0.062466 0.019086 -0.057325 0.012694 0.024097 -0.020404 -0.058237 -0.016242 0.149510 -0.116273 -0.023266 -0.080554 -0.007204 -0.004481 0.095221 0.010156 0.086253 0.035856 0.037113 0.032123 -0.003948 -0.018866 0.017270 -0.004970 -0.022602 -0.022208 0.080359 0.085054 -0.088088 -0.662865 -0.115843 -0.079371 -0.118503 -0.016057 -0.005565 0.023061 0.027820 -0.061991 -0.092856 0.044529 -0.056352 0.055776 0.071322 0.003904 0.204730 0.087217 0.063586 -0.046265 -0.162733 0.081360 -0.093654 -0.030056 -0.098328 -0.006166 0.046971 0.034034 0.042708 -0.171049 0.042163 0.123888 -0.135844 -0.373718 0.057636 -0.055444 0.033990 0.067584 -0.407001 -0.489191 0.004128 -0.020931 0.029211 0.019488 -0.109128 0.013496 0.281436 0.011199 -0.040574 0.014991 0.082261 0.081880 0.073971 -0.036481 0.078321 -0.318429 0.058355 0.056725 0.119015 0.161288 -0.101948 0.112075 0.128423 0.362073 -0.061382 -0.032443 -0.049962 0.054000 0.436578 -0.355401 0.555729 -0.083890 0.048691 0.019721 0.063193 0.000910 -0.321807 -0.034065 0.023560 -0.056224 -0.108903 -0.038006 -0.075438 0.058501 0.346455 -0.255559 -0.028759 -0.018450 -0.024601 0.193331 0.018236 0.068121 0.024149 0.389198 -0.085571 0.036338 -0.068546 0.051451 0.290856 0.445906 0.198401 -0.018668 0.054785 -0.027020 -0.541130 0.001074 -0.513766 -0.052388 0.066062 -0.009154 -0.010406 0.002417 0.089652 0.002375 -0.075070 -0.139402 -0.032692 -0.055817 0.061491 -0.047776 -0.049578 -0.009504 -0.029459 -0.359073 -0.161506 -0.000175 0.042962 -0.045687 -0.310262 0.362947 -0.445237 -0.039776 -0.048497 0.049714 0.437291 0.040358 0.003785 0.054905 -0.008360 0.081428 -0.068144 0.065106 0.025985 0.006334 -0.379130 0.049403 0.035069 -0.011542 -0.097399 0.058274 -0.048520 -0.006958 -0.085324 0.040772 0.440050 -0.089365 0.087132 0.241455 0.009543 -0.019687 0.001735 0.041105 0.007307 -0.062923 0.194053 0.118920 0.176066 -0.079649 0.117223 -0.043008 0.140492 0.038611 0.359462 0.140581 0.087189 0.001558 -0.149370 -0.130984 0.420719 -0.085626 -0.003912 -0.253035 -0.019031 -0.002638 -0.015522 0.071814 -0.025008 -0.087438 -0.039833 0.011381 0.025987 0.042466 -0.006874 0.122465 0.014919 -0.127105 0.037201 0.173799 -0.015414 0.451619 0.070445 0.045673 -0.275049 -0.012127 0.026931 -0.005037 0.028397 0.021157 -0.028663 -0.062563 -0.028246 -0.030599 -0.078567 -0.107574 -0.147257 0.062057 0.018657 -0.056816 0.012256 0.031236 -0.028334 -0.061648 -0.018637 0.162378 -0.105550 -0.026061 -0.079298 -0.003951 -0.003681 0.097638 0.011389 0.082276 0.025882 0.035565 0.033359 -0.003660 -0.026893 0.014534 -0.011159 -0.027105 -0.018855 0.072447 0.085388 -0.088116 -0.662030 -0.116247 -0.079669 -0.119560 -0.018401 -0.000607 0.021254 0.028413 -0.062669 -0.090994 0.058405 -0.061618 0.051687 0.074828 0.003293 0.208913 0.090042 0.063128 -0.044339 -0.163660 0.081748 -0.094745 -0.031044 -0.096018 -0.007314 0.050779 0.019221 0.035340 -0.193209 0.041609 0.116193 -0.132837 -0.374372 0.050977 -0.048356 0.035786 0.067367 -0.403675 -0.487740 0.010788 -0.027557 0.027373 0.020468 -0.108399 0.013398 0.280469 0.017719 -0.046803 0.014892 0.079166 0.071186 0.076083 -0.036128 0.078504 -0.316380 0.066046 0.054634 0.111404 0.250277 -0.153054 -0.277289 0.125369 0.360151 -0.058176 -0.030115 -0.050037 0.064610 0.433843 -0.354666 0.558185 -0.092577 0.040080 0.022791 0.062635 0.001255 -0.322270 -0.040689 0.022308 -0.066869 -0.112359 -0.035206 -0.061723 0.057907 0.346908 -0.255200 -0.031553 -0.019062 -0.026859 0.200983 0.023267 0.077452 0.024529 0.390169 -0.084018 0.041558 -0.068629 0.059042 0.291609 0.444352 0.201767 -0.025888 0.064279 -0.025283 -0.540844 0.001214 -0.517836 -0.051816 0.073947 -0.004200 -0.016314 0.011653 0.089158 0.002953 -0.075428 -0.139105 -0.034146 -0.054938 0.062969 -0.046497 -0.064894 -0.001412 -0.030187 -0.356908 -0.157900 -0.003924 0.036414 -0.037786 -0.311194 0.362586 -0.445360 -0.036828 -0.041404 0.047784 0.436851 0.040065 0.003348 0.055909 -0.008434 0.078646 -0.064496 0.066991 0.030613 0.005762 -0.379477 0.049184 0.035971 -0.013278 -0.095871 0.049714 -0.050175 -0.007732 -0.066200 0.027458 0.340340 -0.088994 0.086985 0.240073 0.010909 -0.021763 0.010374 0.049067 0.014423 -0.054577 0.194556 0.118968 0.177903 -0.066777 0.111402 -0.036660 0.140447 0.038894 0.358674 0.098285 0.075491 0.007485 -0.149228 -0.131148 0.420808 -0.089169 -0.002174 -0.250471 -0.002878 -0.012614 -0.030903 0.053043 -0.015369 -0.068373 -0.018981 0.003486 0.023449 0.037666 -0.005526 0.105230 0.009364 -0.105514 0.031523 0.173010 -0.015430 0.451100 0.071008 0.046995 -0.267187 -0.004112 0.024666 -0.003248 0.010127 0.013853 -0.020241 -0.065409 -0.032765 -0.031757 -0.079654 -0.109570 -0.146786 0.061218 0.019389 -0.049262 0.012652 0.030582 -0.036208 -0.059256 -0.018228 0.157375 -0.071682 -0.021503 -0.068681 0.000875 -0.002786 0.085675 0.010766 0.054477 0.009479 0.034439 0.033363 -0.001307 -0.041929 0.012172 -0.017294 -0.031717 -0.014533 0.063408 0.085735 -0.088119 -0.660491 -0.116614 -0.079213 -0.120324 -0.019887 0.008416 0.011472 0.029020 -0.064179 -0.091497 0.061583 -0.052880 0.038379 0.069521 0.003382 0.181200 0.093643 0.064326 -0.041199 -0.164222 0.081482 -0.094665 -0.028744 -0.072171 -0.008475 0.045486 0.004951 0.022630 -0.140476 0.038205 0.107512 -0.127192 -0.375234 0.051588 -0.026988 0.039663 0.069183 -0.400063 -0.496413 0.023194 -0.018948 0.024142 0.012707 -0.107781 0.013112 0.279260 0.028346 -0.044478 0.016020 0.073534 0.056381 0.072010 -0.034893 0.078216 -0.319802 0.065876 0.050351 0.091743 0.212916 -0.140648 -0.185737 0.119136 0.360734 -0.049945 -0.013599 -0.045224 0.078937 0.432056 -0.350885 0.561218 -0.089186 0.032898 0.031031 0.062064 0.001309 -0.322862 -0.050702 0.019593 -0.074403 -0.103999 -0.029993 -0.037630 0.057375 0.346479 -0.255280 -0.035431 -0.017672 -0.021634 0.135054 0.029149 0.084570 0.028688 0.391822 -0.085901 0.040629 -0.055260 0.058224 0.291976 0.451846 0.212205 -0.029054 0.062378 -0.018615 -0.540329 0.001719 -0.519660 -0.049814 0.070905 0.001745 -0.021448 0.017691 0.076751 0.003577 -0.075286 -0.139283 -0.030428 -0.047757 0.051836 -0.044261 -0.055412 0.007085 -0.035056 -0.356340 -0.153096 -0.003732 0.014576 -0.013576 -0.312575 0.359574 -0.448768 -0.029029 -0.038164 0.043449 0.436006 0.040320 0.002328 0.050547 -0.010023 0.066594 -0.051776 0.054907 0.032213 0.005071 -0.378841 0.048169 0.030724 -0.006655 -0.067556 0.036218 -0.041364 -0.002796 0.009882 -0.021957 0.025081 -0.088077 0.086999 0.237687 0.016475 -0.025353 0.036081 0.073118 0.032485 -0.043806 0.196689 0.119233 0.184971 -0.031483 0.108649 -0.019692 0.140157 0.039567 0.356883 -0.020518 0.047874 0.023217 -0.148594 -0.132276 0.422547 -0.100876 -0.000431 -0.242211 0.036828 -0.042881 -0.071666 0.000758 0.012765 -0.003481 0.046653 -0.020837 0.015431 0.023138 0.000386 0.063458 -0.000932 -0.039808 0.014316 0.174021 -0.016143 0.447661 0.073071 0.050512 -0.243011 0.014836 0.015483 0.001621 -0.042191 -0.008656 0.006217 -0.073325 -0.046812 -0.034363 -0.083243 -0.116108 -0.144547 0.059303 0.021001 -0.026750 0.013077 0.027607 -0.064710 -0.053182 -0.017512 0.144897 0.027927 -0.006398 -0.032685 0.014181 -0.000030 0.051561 0.012857 -0.029152 -0.034951 0.029990 0.036031 0.005956 -0.089067 0.005228 -0.033118 -0.047216 0.002195 0.037408 0.086885 -0.088819 -0.655409 -0.117654 -0.079444 -0.123899 -0.023861 0.032539 -0.014451 0.031107 -0.068967 -0.090536 0.069673 -0.023851 -0.004413 0.051341 0.003597 0.103330 0.106171 0.065689 -0.031932 -0.166413 0.081678 -0.096184 -0.015876 -0.000819 -0.012666 0.036708 -0.041183 -0.020247 0.031837 0.030299 0.075814 -0.102848 -0.377639 0.050829 0.045280 0.051970 0.065040 -0.390227 -0.498978 0.060754 0.014090 0.014385 -0.012114 -0.104753 0.012231 0.275489 0.064132 -0.037759 0.020149 0.048105 0.000232 0.060405 -0.033886 0.077609 -0.322445 0.063097 0.034155 0.023662 0.056056 -0.085668 0.106988 0.093869 0.362318 -0.025334 0.035962 -0.033628 0.119653 0.426256 -0.339865 0.569243 -0.069066 0.003654 0.061134 0.059530 0.001394 -0.324501 -0.078357 0.008789 -0.092779 -0.078956 -0.010721 0.031646 0.055642 0.348040 -0.255082 -0.052957 -0.010428 -0.020517 -0.059553 0.039303 0.114395 0.042243 0.396301 -0.091760 0.040826 -0.017816 0.057542 0.292964 0.450588 0.243440 -0.041413 0.056180 0.006546 -0.539988 0.002337 -0.526790 -0.044208 0.055499 0.024088 -0.035001 0.033837 0.046111 0.005064 -0.075910 -0.139030 -0.023378 -0.023086 0.019408 -0.034495 -0.040011 0.037103 -0.050231 -0.355570 -0.138154 -0.004588 -0.043772 0.052692 -0.315784 0.350273 -0.460266 -0.006027 -0.006935 0.015973 0.434793 0.040424 -0.000234 0.030143 -0.012846 0.037928 -0.019344 0.010990 0.040257 0.003487 -0.380255 0.045480 0.013540 0.016324 0.012819 -0.014197 -0.008328 0.000821 0.052331 -0.048779 -0.123114 -0.087883 0.086809 0.236655 0.018072 -0.028684 0.046232 0.082645 0.042192 -0.035436 0.197014 0.118993 0.187684 -0.015338 0.105161 -0.011800 0.140155 0.039742 0.355771 -0.073434 0.036216 0.031818 -0.148470 -0.132540 0.422309 -0.105347 0.001931 -0.239397 0.055087 -0.057093 -0.091853 -0.020093 0.023665 0.025036 0.075785 -0.031241 0.010663 0.013195 0.003606 0.040516 -0.009120 -0.013294 0.006672 0.172633 -0.016212 0.446927 0.073701 0.052330 -0.233344 0.025780 0.012206 0.004461 -0.063502 -0.017383 0.015648 -0.076650 -0.053878 -0.035603 -0.084536 -0.118645 -0.144609 0.058730 0.022104 -0.017315 0.011925 0.026304 -0.079952 -0.050125 -0.017086 0.138428 0.072424 0.000237 -0.016920 0.020197 0.000872 0.035898 0.013616 -0.067993 -0.055849 0.028695 0.036007 0.007473 -0.110784 0.002620 -0.040623 -0.053176 0.007660 0.024966 0.087219 -0.088883 -0.653099 -0.117935 -0.078909 -0.124765 -0.024031 0.044083 -0.028154 0.031431 -0.071049 -0.091764 0.072617 -0.010666 -0.021507 0.041618 0.004332 0.068781 0.110566 0.067410 -0.029012 -0.166763 0.081155 -0.095940 -0.010249 0.027474 -0.016470 0.032773 -0.063858 -0.038501 0.113339 0.029271 0.061364 -0.095931 -0.379051 0.050828 0.071018 0.054412 0.064928 -0.385377 -0.513157 0.076490 0.032743 0.011308 -0.025753 -0.104105 0.012258 0.274363 0.080163 -0.034321 0.022266 0.035227 -0.023838 0.060263 -0.031986 0.076920 -0.327550 0.064235 0.028346 -0.001816 -0.030500 -0.060895 0.250655 0.085995 0.362760 -0.015833 0.056513 -0.029860 0.142452 0.424025 -0.335238 0.572818 -0.063627 0.002230 0.070381 0.058860 0.001329 -0.324988 -0.091258 0.007715 -0.097656 -0.072451 -0.003112 0.063939 0.055282 0.347075 -0.254999 -0.059311 -0.005293 -0.013508 -0.141284 0.044457 0.124700 0.047379 0.398427 -0.093833 0.041531 -0.001199 0.058029 0.292516 0.462879 0.255729 -0.045866 0.054496 0.016317 -0.539071 0.002234 -0.527603 -0.042201 0.048263 0.033403 -0.039013 0.038529 0.034512 0.006012 -0.075883 -0.139164 -0.019746 -0.014582 0.007161 -0.034168 -0.031461 0.049692 -0.056383 -0.354855 -0.132302 -0.000334 -0.065321 0.081756 -0.317211 0.346111 -0.464499 0.002635 -0.002495 0.004170 0.433414 0.040594 -0.001400 0.026795 -0.012677 0.029295 -0.007133 -0.005834 0.043711 0.002417 -0.379405 0.044502 0.006501 0.026288 0.045591 -0.030418 0.005659 0.000682 -0.041209 0.006749 0.243243 -0.087240 0.087147 0.237271 0.017439 -0.032237 0.053774 0.069088 0.028078 -0.016725 0.197868 0.119464 0.190229 0.007040 0.042398 -0.005884 0.140037 0.039887 0.354967 -0.063303 0.017679 0.038400 -0.148167 -0.132842 0.422868 -0.108094 0.005196 -0.235493 0.049643 -0.037428 -0.071357 -0.006245 0.024982 0.044713 0.071119 -0.028215 0.012404 0.007027 0.002216 0.021338 -0.008558 0.002233 0.018888 0.173093 -0.016298 0.446413 0.074919 0.053588 -0.230811 0.018908 0.011852 0.005972 -0.064624 -0.016475 0.027018 -0.041585 -0.041894 -0.018234 -0.085709 -0.120598 -0.137524 0.056850 0.023705 -0.007714 0.003812 0.015213 -0.063872 -0.043973 -0.011336 0.108111 0.075310 0.001043 -0.002910 0.016119 0.004052 0.011864 0.009309 -0.070284 -0.059847 0.029859 0.034057 0.013399 -0.094836 0.007270 -0.033459 -0.050404 0.015952 0.018355 0.087588 -0.088771 -0.652160 -0.118478 -0.079032 -0.125053 -0.021315 0.040001 -0.031018 0.033484 -0.072021 -0.088150 0.043022 0.003147 -0.022414 0.026283 -0.002198 0.033887 0.111990 0.069774 -0.025688 -0.167259 0.081554 -0.095561 -0.000809 0.036597 -0.011716 0.017391 -0.048500 -0.035794 0.095971 0.026271 0.063669 -0.087879 -0.378391 0.061416 0.071781 0.049234 0.070305 -0.386917 -0.513518 0.081820 0.030822 0.007058 -0.024871 -0.103176 0.011880 0.273291 0.077260 -0.023072 0.026022 0.015665 -0.033504 0.043058 -0.032069 0.076825 -0.326713 0.048794 0.035273 -0.020290 0.057442 -0.099535 -0.134797 0.076628 0.368212 -0.010661 0.039502 -0.014502 0.122961 0.426186 -0.335430 0.572602 -0.065685 -0.004083 0.062628 0.058255 0.001241 -0.324595 -0.085644 -0.005053 -0.088330 -0.059426 -0.000027 0.066111 0.054731 0.348238 -0.254230 -0.048293 -0.014477 -0.006745 -0.109432 0.034034 0.132159 0.048300 0.397957 -0.094035 0.025543 0.014007 0.038098 0.291323 0.461781 0.268029 -0.031313 0.028176 0.022198 -0.539620 0.002990 -0.528123 -0.036371 0.027486 0.031651 -0.053210 0.031395 0.016029 0.006502 -0.075708 -0.138353 -0.006293 -0.014746 -0.007531 -0.030369 0.004640 0.041269 -0.057443 -0.359138 -0.125227 0.006739 -0.066693 0.072740 -0.316457 0.346877 -0.467666 0.014938 0.008247 -0.008508 0.433566 0.041285 -0.002323 0.018864 -0.010720 0.021660 -0.001766 -0.019548 0.037000 0.001856 -0.380264 0.044794 -0.000538 0.035001 0.060292 -0.034159 0.014596 0.001464 -0.153321 0.074532 0.646230 -0.086546 0.087375 0.238341 0.017366 -0.036807 0.061928 0.052385 0.013864 0.001093 0.198729 0.119545 0.192965 0.025820 -0.031385 0.000059 0.140144 0.039767 0.354195 -0.053404 -0.006305 0.040964 -0.147987 -0.133498 0.423412 -0.111516 0.008648 -0.230937 0.046054 -0.017608 -0.050103 0.009716 0.025311 0.065446 0.067009 -0.025071 0.016962 -0.000584 0.001172 0.003074 -0.008842 0.019982 0.028342 0.173427 -0.016278 0.446078 0.076386 0.054110 -0.227852 0.012345 0.011073 0.005693 -0.059216 -0.015835 0.039072 -0.003633 -0.029744 0.000198 -0.086974 -0.123213 -0.130014 0.055490 0.025071 0.002347 -0.005137 0.003026 -0.046880 -0.037920 -0.006019 0.074476 0.079647 0.001550 0.013548 0.012138 0.007293 -0.013159 0.005187 -0.073995 -0.064005 0.030493 0.031321 0.020979 -0.080292 0.011958 -0.027052 -0.045696 0.024175 0.010185 0.087941 -0.088983 -0.650550 -0.118842 -0.079278 -0.125497 -0.018421 0.035133 -0.033036 0.035534 -0.073342 -0.084545 0.012946 0.018663 -0.023103 0.010545 -0.006959 -0.002585 0.113614 0.071913 -0.022205 -0.167974 0.081519 -0.095085 0.008548 0.047309 -0.007610 0.002250 -0.030545 -0.032232 0.075373 0.023450 0.067239 -0.078497 -0.380130 0.070947 0.067086 0.042596 0.076977 -0.387845 -0.515919 0.087842 0.029970 0.002789 -0.025396 -0.104302 0.011395 0.271977 0.073316 -0.010227 0.028301 -0.011990 -0.044984 0.027750 -0.031624 0.076100 -0.327509 0.033488 0.045487 -0.036284 0.167780 -0.142998 -0.565185 0.065797 0.373711 -0.005309 0.024808 0.006683 0.101073 0.428169 -0.335331 0.571544 -0.068652 -0.007604 0.058862 0.059828 0.000962 -0.323976 -0.078960 -0.018557 -0.079194 -0.041891 0.011098 0.073965 0.053924 0.346598 -0.253067 -0.036981 -0.024705 0.001397 -0.078119 0.025680 0.140524 0.048719 0.399520 -0.094690 0.006677 0.031492 0.015644 0.292618 0.462270 0.281253 -0.014387 0.000198 0.029272 -0.539539 0.003261 -0.532344 -0.029260 0.002272 0.032625 -0.064893 0.024762 -0.001628 0.007296 -0.075478 -0.137974 0.011330 -0.013645 -0.023889 -0.025063 0.038070 0.031292 -0.058079 -0.363808 -0.117475 0.014699 -0.067417 0.062213 -0.318250 0.347049 -0.471152 0.024283 0.018943 -0.018737 0.433609 0.041501 -0.003263 0.010179 -0.010508 0.014302 0.001084 -0.032742 0.028053 0.001090 -0.378806 0.044847 -0.008596 0.045844 0.075228 -0.041606 0.021681 0.004806 -0.106178 0.047185 0.481940 -0.086507 0.088046 0.238669 0.018074 -0.038145 0.065026 0.040728 0.005634 0.006497 0.199521 0.119792 0.193850 0.037291 -0.065567 -0.002640 0.140411 0.039856 0.353328 -0.043972 -0.016019 0.039594 -0.147926 -0.133860 0.423261 -0.113328 0.010169 -0.229122 0.039052 -0.006483 -0.039065 0.018375 0.024160 0.073565 0.061256 -0.023552 0.016700 -0.002025 0.001155 -0.003790 -0.006735 0.023897 0.033962 0.174856 -0.016192 0.445171 0.077271 0.054543 -0.227782 0.006990 0.010852 0.004661 -0.052177 -0.013992 0.042497 0.010287 -0.022542 0.007989 -0.087486 -0.124241 -0.126515 0.054841 0.026099 0.006073 -0.009038 -0.001427 -0.037316 -0.035472 -0.002667 0.060394 0.076895 0.001036 0.018723 0.009892 0.009060 -0.022401 0.003235 -0.069827 -0.062265 0.030205 0.030100 0.024204 -0.068841 0.013854 -0.023488 -0.044841 0.028666 0.006903 0.088143 -0.088682 -0.651082 -0.118898 -0.079649 -0.127059 -0.017119 0.032079 -0.032155 0.036451 -0.073322 -0.082917 0.001423 0.022514 -0.021155 0.004060 -0.008741 -0.017846 0.115144 0.073107 -0.021210 -0.168365 0.082210 -0.096453 0.012374 0.047319 -0.005496 -0.005486 -0.021067 -0.028666 0.067701 0.024133 0.067004 -0.074804 -0.379165 0.076834 0.063081 0.037318 0.079822 -0.389683 -0.506337 0.088790 0.025002 -0.000292 -0.026384 -0.104047 0.011376 0.270769 0.074245 -0.002778 0.030045 -0.018097 -0.046256 0.024085 -0.032363 0.076405 -0.325267 0.027668 0.052584 -0.042020 0.113162 -0.106324 -0.400477 0.062237 0.376317 -0.004309 0.014822 0.008766 0.091825 0.429756 -0.335637 0.570563 -0.069264 -0.015946 0.053360 0.060106 0.001429 -0.324158 -0.076706 -0.022548 -0.073030 -0.038815 0.008490 0.069706 0.053487 0.347522 -0.252597 -0.033765 -0.033323 0.003595 -0.056833 0.019236 0.147713 0.047663 0.398714 -0.094276 0.003533 0.035638 0.007721 0.292783 0.452618 0.286145 -0.008009 -0.008222 0.029327 -0.540047 0.003543 -0.535543 -0.033519 -0.005845 0.032235 -0.069635 0.022089 -0.007303 0.007500 -0.075555 -0.138181 0.016081 -0.017552 -0.028009 -0.023899 0.052750 0.025999 -0.056727 -0.366071 -0.115207 0.018246 -0.061235 0.054787 -0.317821 0.347518 -0.472507 0.026579 0.026886 -0.019589 0.434392 0.041518 -0.003931 0.012026 -0.009745 0.012736 -0.002087 -0.034847 0.027205 0.001120 -0.379457 0.044681 -0.007998 0.052382 0.075782 -0.039454 0.024543 0.007473 0.040067 -0.041492 0.011468 -0.084887 0.088192 0.239649 0.015285 -0.045467 0.074370 0.018689 -0.015074 0.033677 0.200371 0.120052 0.196222 0.063884 -0.154631 0.001335 0.140094 0.039675 0.351945 -0.003931 -0.043409 0.043170 -0.147431 -0.134449 0.423071 -0.114768 0.016722 -0.223267 0.024711 0.024942 -0.000210 0.051809 0.019977 0.099223 0.040429 -0.014595 0.021573 -0.013122 -0.002493 -0.026269 -0.008755 0.035048 0.051677 0.172893 -0.016400 0.445737 0.078640 0.056026 -0.227182 -0.001406 0.013290 0.005207 -0.029929 -0.007775 0.052901 0.056929 -0.002753 0.035146 -0.088547 -0.126496 -0.115157 0.052181 0.027944 0.018012 -0.023953 -0.015463 -0.005308 -0.025761 0.004814 0.016261 0.072205 -0.001377 0.042746 0.004284 0.013808 -0.051550 -0.004358 -0.057718 -0.061312 0.034077 0.025110 0.033109 -0.034272 0.019338 -0.011932 -0.034580 0.037792 -0.001412 0.088351 -0.088619 -0.650875 -0.119584 -0.079143 -0.125540 -0.011283 0.023240 -0.032187 0.039153 -0.074203 -0.076611 -0.039747 0.034917 -0.017526 -0.019118 -0.015664 -0.055575 0.113453 0.076973 -0.016406 -0.168990 0.081614 -0.094069 0.022366 0.049551 -0.000303 -0.027338 0.010143 -0.010425 0.042057 0.021337 0.069509 -0.065636 -0.380112 0.092034 0.035284 0.024374 0.080156 -0.392718 -0.524982 0.092708 0.014780 -0.009130 -0.027977 -0.102467 0.010608 0.268879 0.055773 0.021297 0.031717 -0.045791 -0.049549 0.001500 -0.030235 0.075595 -0.329315 0.002757 0.064962 -0.052841 -0.070932 0.023659 0.057582 0.049634 0.385012 -0.000057 0.002862 0.032757 0.037915 0.434067 -0.338734 0.569689 -0.074073 -0.005844 0.029382 0.058704 0.000570 -0.323901 -0.059288 -0.039992 -0.055034 -0.018898 0.004377 0.071789 0.052740 0.347777 -0.252595 -0.008868 -0.047648 0.015823 0.015349 -0.003969 0.151633 0.046489 0.399211 -0.091530 -0.015252 0.054246 -0.020621 0.291277 0.469761 0.301460 0.016981 -0.040218 0.029932 -0.539941 0.004341 -0.538801 -0.019608 -0.039893 0.029212 -0.088224 0.011969 -0.027318 0.008573 -0.075026 -0.137607 0.036269 -0.023820 -0.039201 -0.017896 0.098349 0.010935 -0.055873 -0.373746 -0.104722 0.027702 -0.060359 0.028226 -0.318549 0.350968 -0.474012 0.037483 0.020596 -0.032205 0.433585 0.042719 -0.005978 -0.000925 -0.005968 -0.002580 -0.004291 -0.038674 0.018619 -0.000092 -0.379781 0.044773 -0.016429 0.059049 0.080740 -0.044494 0.031964 0.008700 0.063685 -0.055814 -0.061410 -0.085148 0.088731 0.240432 0.015960 -0.045380 0.076220 0.013751 -0.019857 0.037397 0.200849 0.120385 0.197012 0.068962 -0.170948 -0.000503 0.140205 0.039825 0.351799 -0.000356 -0.046271 0.043733 -0.147542 -0.134640 0.423475 -0.116358 0.016667 -0.222008 0.020302 0.030151 0.005119 0.055826 0.019039 0.103369 0.038265 -0.013466 0.022082 -0.012815 -0.002810 -0.028546 -0.006685 0.036584 0.054973 0.174596 -0.016109 0.445180 0.079137 0.055463 -0.226733 -0.004658 0.011879 0.003712 -0.026508 -0.007599 0.054839 0.063112 0.000551 0.039109 -0.089015 -0.127370 -0.113123 0.052273 0.028300 0.019694 -0.025567 -0.018120 -0.000425 -0.025132 0.005774 0.010297 0.070324 -0.001576 0.046061 0.003028 0.015438 -0.055771 -0.004963 -0.055273 -0.060511 0.033283 0.025159 0.035974 -0.029177 0.020041 -0.010155 -0.034416 0.040237 -0.002704 0.088452 -0.088735 -0.650299 -0.119668 -0.079764 -0.126819 -0.010070 0.021742 -0.031117 0.039743 -0.074169 -0.075380 -0.046757 0.036094 -0.017311 -0.021740 -0.015270 -0.062401 0.114660 0.076817 -0.015924 -0.169582 0.082351 -0.095121 0.024260 0.049235 0.001438 -0.030674 0.015592 -0.008925 0.038658 0.020450 0.068713 -0.063519 -0.381101 0.091943 0.036155 0.023571 0.084549 -0.393910 -0.514767 0.092883 0.014195 -0.011304 -0.028142 -0.104826 0.010758 0.268295 0.053004 0.023184 0.031952 -0.051454 -0.052260 -0.001882 -0.031757 0.075570 -0.325666 0.002345 0.069175 -0.058006 -0.096734 0.045602 0.133032 0.047479 0.385925 -0.000184 -0.002683 0.034902 0.032265 0.434709 -0.338597 0.568632 -0.075295 -0.012790 0.025148 0.061214 0.000899 -0.323815 -0.056596 -0.042212 -0.051877 -0.014556 0.002424 0.070797 0.052482 0.345895 -0.252021 -0.008383 -0.054079 0.014568 0.026137 -0.004895 0.154965 0.045528 0.400288 -0.092343 -0.018358 0.055930 -0.025119 0.292825 0.459423 0.303188 0.020521 -0.044812 0.030466 -0.539994 0.004308 -0.542663 -0.021028 -0.042757 0.029908 -0.091127 0.012069 -0.030034 0.008436 -0.074839 -0.137773 0.039151 -0.024836 -0.040272 -0.015259 0.103229 0.009138 -0.054773 -0.374608 -0.103973 0.028889 -0.058031 0.024317 -0.319463 0.351186 -0.475261 0.039113 0.028075 -0.033838 0.433973 0.042548 -0.006130 -0.000954 -0.005000 -0.004874 -0.007199 -0.038676 0.017716 -0.000012 -0.377713 0.044635 -0.016361 0.061857 0.079917 -0.044420 0.033127 0.010121 0.055622 -0.052286 -0.030236 -0.084665 0.088509 0.240454 0.015163 -0.046745 0.077431 0.010528 -0.020730 0.038192 0.200949 0.120363 0.197229 0.060662 -0.152440 0.005374 0.140152 0.039626 0.351570 -0.000484 -0.042690 0.042736 -0.147442 -0.134708 0.422974 -0.115720 0.018289 -0.221289 0.014824 0.029259 0.004934 0.051485 0.018042 0.098076 0.032419 -0.012578 0.017379 -0.013532 -0.001182 -0.029611 -0.003306 0.032328 0.054750 0.172696 -0.016284 0.444864 0.079228 0.056036 -0.227063 -0.006876 0.008853 0.005326 -0.017748 -0.004359 0.051864 0.056775 0.004728 0.040523 -0.088790 -0.126778 -0.111320 0.051079 0.028790 0.020441 -0.026998 -0.018961 0.004137 -0.022750 0.005547 0.008438 0.065717 -0.004321 0.046232 0.003463 0.014246 -0.055006 -0.005531 -0.045252 -0.055229 0.034656 0.023795 0.035686 -0.023221 0.018111 -0.008843 -0.030954 0.040232 -0.003451 0.088538 -0.088632 -0.650600 -0.119865 -0.079219 -0.125847 -0.009405 0.020545 -0.029828 0.040330 -0.073896 -0.073016 -0.045068 0.029625 -0.012876 -0.021569 -0.014831 -0.058608 0.112859 0.076804 -0.015952 -0.169425 0.081779 -0.094502 0.020213 0.041939 0.003550 -0.031022 0.019287 -0.005498 0.027204 0.019259 0.068483 -0.059208 -0.380025 0.092801 0.032241 0.018436 0.085033 -0.394658 -0.525293 0.091727 0.012610 -0.012246 -0.026382 -0.104289 0.010704 0.268072 0.051298 0.024480 0.033001 -0.047798 -0.053621 -0.003064 -0.030180 0.075550 -0.330650 -0.000388 0.073642 -0.050197 -0.087196 0.038322 0.105762 0.042027 0.388229 -0.000793 -0.001292 0.025822 0.025809 0.436039 -0.339941 0.567282 -0.071579 -0.018317 0.018499 0.060665 0.000833 -0.323548 -0.053854 -0.042465 -0.042102 -0.013302 0.003378 0.065111 0.052401 0.346937 -0.251453 -0.007191 -0.056974 0.010765 0.042531 -0.008036 0.155123 0.044236 0.398827 -0.090340 -0.017569 0.056585 -0.027263 0.290706 0.470158 0.303238 0.023419 -0.043622 0.029943 -0.540389 0.004327 -0.540018 -0.019123 -0.044624 0.025303 -0.090850 0.012613 -0.031432 0.008522 -0.075057 -0.137843 0.039137 -0.028495 -0.040591 -0.010322 0.094461 0.005901 -0.053301 -0.377138 -0.102865 0.025841 -0.041607 0.020248 -0.317958 0.352029 -0.474995 0.039092 0.035223 -0.032955 0.433988 0.042607 -0.006335 0.002195 -0.003183 -0.006463 -0.006703 -0.035505 0.016122 -0.000127 -0.378837 0.044810 -0.017278 0.060335 0.073535 -0.042583 0.031389 0.009340 0.030180 -0.039859 0.063680 -0.084582 0.089058 0.240319 0.013777 -0.048457 0.083179 -0.002667 -0.017634 0.039671 0.201829 0.120852 0.198427 0.044396 -0.098154 0.017700 0.140047 0.039530 0.351887 -0.002298 -0.033249 0.033328 -0.147335 -0.135225 0.422753 -0.115183 0.021704 -0.216909 0.004558 0.032116 0.006352 0.048550 0.012230 0.086709 0.008978 -0.007031 0.016906 -0.013561 -0.002319 -0.028637 -0.003066 0.022935 0.052252 0.173053 -0.015996 0.445847 0.079228 0.056163 -0.227726 -0.004721 0.005753 0.007273 0.008584 0.002909 0.043337 0.034340 0.016340 0.043112 -0.088092 -0.126661 -0.105180 0.049590 0.028760 0.023073 -0.027365 -0.017907 0.019465 -0.014739 0.004239 0.003057 0.053523 -0.014366 0.050150 0.003356 0.014519 -0.049321 -0.009198 -0.017370 -0.039090 0.036605 0.021147 0.040393 -0.008939 0.014223 -0.004350 -0.017732 0.036310 -0.005667 0.088497 -0.088392 -0.651028 -0.120511 -0.079670 -0.124716 -0.004985 0.016475 -0.025656 0.041786 -0.072129 -0.066795 -0.042069 0.013229 -0.003929 -0.027215 -0.010926 -0.050573 0.110056 0.076994 -0.013129 -0.170224 0.082489 -0.093760 0.009143 0.019901 0.006095 -0.033352 0.027319 0.008285 -0.009841 0.012296 0.067957 -0.059114 -0.378965 0.097774 0.008692 -0.000564 0.075056 -0.399778 -0.529133 0.088823 0.011512 -0.013214 -0.016970 -0.104690 0.010078 0.266876 0.037699 0.032713 0.032029 -0.035232 -0.055495 -0.008857 -0.029751 0.075496 -0.326006 -0.013791 0.077585 -0.038622 -0.051221 0.015910 -0.004538 0.040105 0.391999 -0.002773 0.003244 0.034274 0.001052 0.440401 -0.345059 0.566140 -0.058450 0.000868 -0.007220 0.061036 0.000875 -0.322999 -0.045636 -0.041755 -0.025273 -0.004272 0.004337 0.060730 0.051481 0.346550 -0.250710 0.001904 -0.064506 0.010973 0.084884 -0.017526 0.144384 0.038497 0.397062 -0.081198 -0.015196 0.050059 -0.028906 0.289254 0.475459 0.304472 0.025495 -0.035385 0.025601 -0.540319 0.005445 -0.543657 -0.012157 -0.045258 0.019022 -0.079318 0.016209 -0.033115 0.008691 -0.074732 -0.137102 0.034307 -0.040424 -0.032798 0.008527 0.057892 -0.002743 -0.046611 -0.382214 -0.099332 0.016268 -0.033747 0.006683 -0.317262 0.357130 -0.470458 0.034302 0.019743 -0.022027 0.433439 0.043019 -0.007313 0.011586 0.004068 -0.012619 -0.009783 -0.021885 0.015266 -0.000517 -0.378227 0.045796 -0.016529 0.052617 0.047415 -0.034096 0.026554 0.002404 -0.023351 -0.013135 0.251998 -0.084611 0.089654 0.239895 0.012711 -0.051370 0.093309 -0.038392 -0.019105 0.042747 0.203634 0.121581 0.200890 0.006189 0.025437 0.047030 0.140297 0.038929 0.351840 -0.004743 -0.020051 0.015493 -0.147117 -0.136470 0.421718 -0.115085 0.027022 -0.208881 -0.017821 0.039376 0.009449 0.044057 0.002769 0.065316 -0.044130 0.003141 0.008243 -0.010959 -0.003211 -0.028151 0.006336 0.002272 0.050653 0.174996 -0.016074 0.445629 0.079700 0.055739 -0.229893 -0.005432 -0.005435 0.011840 0.056215 0.016927 0.028799 -0.009160 0.037286 0.048925 -0.086606 -0.126845 -0.093504 0.047281 0.028577 0.027391 -0.028988 -0.015667 0.047644 0.000254 0.001751 -0.007417 0.027934 -0.035186 0.056167 0.003766 0.015266 -0.037227 -0.015136 0.040147 -0.007360 0.039122 0.016069 0.049502 0.021034 0.006297 0.003164 0.006106 0.031323 -0.010648 0.088654 -0.088653 -0.652176 -0.121485 -0.081631 -0.124238 0.004578 0.005676 -0.014824 0.045149 -0.069183 -0.053525 -0.033584 -0.021025 0.014436 -0.035260 -0.001596 -0.031968 0.105783 0.075816 -0.008893 -0.171600 0.084022 -0.094328 -0.013219 -0.020308 0.013059 -0.037522 0.045833 0.033313 -0.086643 0.009279 0.068213 -0.053001 -0.379238 0.103113 -0.023424 -0.037658 0.062750 -0.410198 -0.527849 0.081647 0.008654 -0.013659 -0.002251 -0.106037 0.008662 0.264410 0.015907 0.043643 0.032683 -0.013634 -0.056970 -0.024430 -0.029289 0.074923 -0.316196 -0.035294 0.085257 -0.010775 0.018982 -0.028296 -0.228295 0.030883 0.399763 -0.007838 0.007398 0.038630 -0.048108 0.449377 -0.355079 0.562891 -0.035727 0.013071 -0.048441 0.062912 0.000866 -0.322109 -0.029149 -0.034399 0.011882 0.017483 0.009336 0.047368 0.049606 0.345980 -0.248939 0.015546 -0.080637 0.003986 0.164829 -0.034327 0.133061 0.027458 0.395007 -0.064934 -0.008826 0.039017 -0.030455 0.288983 0.475802 0.306400 0.029034 -0.020297 0.016193 -0.540502 0.006741 -0.552061 0.001380 -0.047175 0.006820 -0.058790 0.023582 -0.033216 0.009394 -0.074597 -0.136303 0.024966 -0.057593 -0.015098 0.037257 -0.014779 -0.023170 -0.033293 -0.393301 -0.093363 -0.000025 -0.008214 -0.017092 -0.317337 0.365887 -0.464425 0.024625 0.013201 -0.009078 0.433662 0.042965 -0.009121 0.029241 0.013204 -0.020527 -0.011473 0.000320 0.012568 -0.001172 -0.377957 0.047128 -0.007144 0.037929 -0.006836 -0.016215 0.012993 -0.003469 0.105381 -0.094854 -0.155271 -0.083872 0.089797 0.238622 0.012809 -0.051032 0.096351 -0.037543 -0.017150 0.034806 0.204336 0.121661 0.201290 -0.005849 0.045850 0.041642 0.140117 0.038609 0.351817 -0.009531 -0.006470 -0.000398 -0.146781 -0.136896 0.420629 -0.115308 0.029717 -0.206335 -0.019526 0.029038 0.009386 0.021576 -0.000637 0.044361 -0.050393 0.001069 -0.000197 -0.011780 -0.001065 -0.025074 0.008212 -0.004526 0.037684 0.174124 -0.015930 0.445374 0.079769 0.055475 -0.226686 -0.000666 -0.009400 0.014375 0.059285 0.017393 0.016353 -0.025826 0.039189 0.037742 -0.085462 -0.127072 -0.093363 0.044461 0.029189 0.027347 -0.026194 -0.012035 0.050958 0.007151 0.000088 -0.003023 0.016676 -0.035668 0.055291 0.006093 0.010376 -0.023264 -0.016007 0.045467 0.004446 0.040017 0.014273 0.052236 0.015661 0.003644 0.004309 0.014135 0.025486 -0.008576 0.088806 -0.088645 -0.653159 -0.121937 -0.081596 -0.124114 0.007609 0.008135 -0.009488 0.047362 -0.067077 -0.050324 -0.024527 -0.023126 0.020259 -0.031802 0.004272 -0.021650 0.103664 0.073532 -0.007699 -0.171987 0.083897 -0.094130 -0.016941 -0.028886 0.014103 -0.037797 0.043797 0.034770 -0.025165 0.006707 0.054451 -0.051193 -0.378240 0.103356 -0.026125 -0.043150 0.051552 -0.413185 -0.538329 0.081035 0.007556 -0.012391 0.001385 -0.106411 0.008319 0.262749 0.016257 0.041354 0.029646 0.003269 -0.054113 -0.018755 -0.028026 0.074458 -0.317076 -0.035926 0.079326 0.005134 -0.130782 0.052454 0.180003 0.027376 0.400799 -0.009599 0.023462 0.029638 -0.040078 0.452199 -0.357274 0.561718 -0.026884 0.017514 -0.051391 0.063436 0.001223 -0.322392 -0.033501 -0.025207 0.022848 0.015264 0.013789 0.047374 0.049035 0.345603 -0.248957 0.011732 -0.074108 -0.002898 0.120055 -0.030366 0.127933 0.025297 0.393538 -0.058107 -0.004319 0.029659 -0.019679 0.287295 0.487383 0.302504 0.022200 -0.007569 0.012911 -0.540181 0.007115 -0.553635 -0.001885 -0.040948 0.004297 -0.039813 0.023413 -0.026518 0.009422 -0.074372 -0.136947 0.015344 -0.060948 -0.010037 0.043133 -0.027179 -0.022844 -0.029893 -0.396231 -0.094211 -0.006349 0.002716 -0.015118 -0.315391 0.367076 -0.461811 0.017137 0.007344 0.002829 0.432973 0.042652 -0.010423 0.038018 0.014352 -0.020692 -0.007300 -0.002608 0.015456 -0.001147 -0.377641 0.046471 -0.001024 0.033815 -0.019625 -0.013475 0.012538 -0.004257 0.165829 -0.133070 -0.348077 -0.084977 0.089937 0.238261 0.014338 -0.050476 0.097983 -0.038766 -0.016686 0.027593 0.204705 0.121587 0.202058 -0.011776 0.057357 0.040168 0.140344 0.038383 0.352067 -0.011921 -0.001901 -0.006405 -0.146722 -0.137179 0.420366 -0.116693 0.030282 -0.205127 -0.021764 0.024518 0.008839 0.012070 -0.002788 0.034916 -0.052864 0.001820 -0.001828 -0.009505 -0.001419 -0.020331 0.010708 -0.008464 0.029430 0.176358 -0.015919 0.444731 0.079713 0.055321 -0.225119 0.000454 -0.012252 0.015327 0.060161 0.016769 0.011155 -0.034183 0.040728 0.032406 -0.084613 -0.127062 -0.093365 0.044262 0.029326 0.027535 -0.022713 -0.008617 0.051974 0.008953 -0.000511 -0.000086 0.011413 -0.035849 0.054163 0.007659 0.009134 -0.014711 -0.016541 0.048377 0.010922 0.038945 0.013438 0.053473 0.013263 0.002283 0.004729 0.016766 0.023145 -0.006712 0.088880 -0.088579 -0.653328 -0.122044 -0.083079 -0.125310 0.009687 0.008189 -0.005317 0.048222 -0.065947 -0.048462 -0.020159 -0.023485 0.021936 -0.030944 0.007543 -0.016909 0.104485 0.072196 -0.006372 -0.172049 0.085187 -0.095504 -0.018856 -0.033542 0.014600 -0.037835 0.043283 0.033865 0.004092 0.005794 0.047278 -0.049827 -0.377476 0.103037 -0.025013 -0.044883 0.047412 -0.415843 -0.529094 0.080363 0.007402 -0.012002 0.001424 -0.106879 0.008202 0.262239 0.014682 0.043281 0.029457 0.011476 -0.052812 -0.016840 -0.028763 0.074383 -0.310946 -0.035762 0.082236 0.005807 -0.204133 0.093364 0.375652 0.025924 0.401325 -0.010753 0.028955 0.032949 -0.035764 0.454079 -0.357921 0.560825 -0.020742 0.015768 -0.051204 0.064245 0.001643 -0.322356 -0.037505 -0.020462 0.022516 0.017727 0.014380 0.049418 0.048809 0.345558 -0.248153 0.010058 -0.068959 -0.008717 0.096053 -0.028288 0.123514 0.024199 0.392603 -0.055336 -0.002212 0.025289 -0.015108 0.287826 0.477949 0.301956 0.018214 -0.001580 0.008946 -0.540282 0.007070 -0.554250 -0.001741 -0.038724 0.002917 -0.030277 0.021227 -0.023423 0.009546 -0.074483 -0.136759 0.010816 -0.063926 -0.006573 0.043655 -0.036929 -0.022357 -0.027876 -0.397716 -0.094852 -0.010540 -0.000565 -0.015848 -0.314906 0.366952 -0.461106 0.013642 0.007912 0.010281 0.433214 0.042243 -0.010669 0.043039 0.014107 -0.021866 -0.007934 -0.005080 0.018313 -0.001043 -0.377684 0.046579 0.003106 0.030111 -0.025860 -0.011771 0.012263 -0.004735 0.155713 -0.127196 -0.320212 -0.085139 0.090214 0.237963 0.015205 -0.049885 0.099468 -0.036153 -0.016106 0.020682 0.205156 0.121595 0.203049 -0.020324 0.060722 0.042269 0.140484 0.038178 0.352422 -0.014585 0.002020 -0.010956 -0.146687 -0.137463 0.419994 -0.117468 0.031950 -0.203366 -0.021900 0.019119 0.007783 -0.000994 -0.003935 0.020266 -0.052019 0.000103 -0.004386 -0.010159 -0.000582 -0.016931 0.010742 -0.008909 0.021822 0.176264 -0.015544 0.444497 0.079731 0.054332 -0.221989 0.004639 -0.012489 0.016023 0.057225 0.014606 0.004431 -0.039804 0.039667 0.024464 -0.083796 -0.128007 -0.093954 0.042711 0.030052 0.027469 -0.019591 -0.005682 0.051850 0.011543 -0.001545 0.002252 0.004982 -0.034516 0.051471 0.009135 0.006658 -0.006373 -0.016105 0.045598 0.015507 0.038659 0.012792 0.055977 0.007945 0.000877 0.005243 0.021481 0.019517 -0.005389 0.089047 -0.088560 -0.652934 -0.122282 -0.083248 -0.125569 0.011183 0.009830 -0.002076 0.049735 -0.064231 -0.047426 -0.014582 -0.020740 0.023650 -0.027908 0.011403 -0.012375 0.103918 0.070617 -0.005149 -0.172397 0.085413 -0.095142 -0.017679 -0.036191 0.012887 -0.037657 0.038046 0.032680 0.031221 0.003202 0.041099 -0.046904 -0.378336 0.101043 -0.028772 -0.046280 0.044622 -0.418163 -0.533608 0.080582 0.007048 -0.008592 0.003186 -0.108090 0.007812 0.261836 0.014656 0.041746 0.026086 0.018823 -0.052669 -0.014828 -0.027948 0.073935 -0.310079 -0.032507 0.077667 0.013205 -0.194530 0.086478 0.354323 0.022202 0.401631 -0.011882 0.039575 0.032525 -0.029935 0.456388 -0.358919 0.561347 -0.014134 0.022564 -0.049937 0.065643 0.001801 -0.322279 -0.039569 -0.012398 0.024107 0.016251 0.019984 0.050737 0.048386 0.344641 -0.247689 0.008706 -0.063436 -0.016450 0.065900 -0.022335 0.118350 0.023138 0.393307 -0.050886 -0.000678 0.018627 -0.008907 0.288396 0.483590 0.298046 0.012449 0.005060 0.008081 -0.540025 0.007581 -0.556718 -0.005798 -0.030183 0.003027 -0.019737 0.023789 -0.017779 0.009580 -0.074037 -0.137026 0.002780 -0.063951 -0.001010 0.044868 -0.042574 -0.021878 -0.026022 -0.399124 -0.095916 -0.014319 -0.000834 -0.014162 -0.314786 0.367429 -0.459799 0.008070 -0.000482 0.017646 0.433020 0.042050 -0.011124 0.046641 0.013214 -0.022162 -0.002114 -0.011124 0.018952 -0.000999 -0.376611 0.046550 0.007673 0.026897 -0.034448 -0.014586 0.011482 -0.007821 0.123239 -0.107738 -0.232810 -0.084951 0.090147 0.235969 0.016578 -0.047211 0.104213 -0.030586 -0.015438 0.009400 0.205993 0.121894 0.204873 -0.039948 0.072771 0.038298 0.139998 0.037740 0.353738 -0.016163 0.010037 -0.033412 -0.146244 -0.137947 0.419189 -0.119082 0.035641 -0.198127 -0.021267 0.004453 0.008572 -0.036603 -0.009162 -0.017358 -0.049101 -0.000118 -0.011925 -0.011144 0.000531 -0.007019 0.013420 -0.013452 -0.005275 0.176895 -0.015480 0.444290 0.079571 0.053703 -0.212645 0.014245 -0.013972 0.019602 0.047399 0.010427 -0.016309 -0.057606 0.039222 0.002927 -0.081807 -0.128943 -0.096166 0.037665 0.030969 0.027850 -0.011136 0.001398 0.052883 0.018761 -0.004797 0.011717 -0.014794 -0.031203 0.045499 0.013828 -0.000273 0.021283 -0.015862 0.037951 0.031557 0.038949 0.011023 0.062449 -0.008993 -0.002539 0.006643 0.035249 0.009171 -0.000535 0.089025 -0.088990 -0.653633 -0.123167 -0.084395 -0.125601 0.015169 0.014110 0.007371 0.054084 -0.060166 -0.042680 0.003476 -0.012405 0.029232 -0.020790 0.023071 0.002166 0.102182 0.065220 -0.001375 -0.173277 0.086310 -0.094850 -0.013566 -0.042078 0.010002 -0.036493 0.027656 0.029987 0.110827 -0.004333 0.020819 -0.043698 -0.377732 0.097938 -0.025941 -0.048601 0.025990 -0.424277 -0.542286 0.082053 0.009868 0.003195 0.010091 -0.108272 0.006487 0.260058 0.014490 0.036829 0.012925 0.040426 -0.044467 -0.001248 -0.026506 0.072676 -0.302946 -0.024940 0.059907 0.037174 -0.155338 0.069934 0.258563 0.016041 0.401593 -0.013875 0.064141 0.026046 -0.013438 0.460415 -0.362325 0.563402 0.000691 0.038409 -0.046716 0.065705 0.002467 -0.321733 -0.048700 0.012439 0.034107 0.012082 0.036430 0.048874 0.046570 0.344610 -0.246870 0.004464 -0.036427 -0.034017 -0.025684 -0.010690 0.097701 0.021333 0.392051 -0.036822 0.005322 -0.004022 0.012443 0.286872 0.494357 0.291800 -0.006628 0.025030 -0.000908 -0.539507 0.008841 -0.559318 -0.011815 -0.008283 -0.004667 0.015015 0.024994 -0.001930 0.009558 -0.073449 -0.136647 -0.023571 -0.058175 0.010177 0.045759 -0.059315 -0.017667 -0.022020 -0.403045 -0.098288 -0.030783 0.002232 -0.007222 -0.312084 0.368678 -0.455467 -0.012826 -0.023812 0.039026 0.431706 0.041363 -0.012087 0.057616 0.005312 -0.024418 0.009427 -0.029179 0.025567 -0.001156 -0.376744 0.046703 0.019573 0.015474 -0.055476 -0.017298 0.006391 -0.013640 0.058910 -0.068536 -0.055472 -0.084739 0.090524 0.232025 0.021542 -0.041533 0.112754 -0.017865 -0.012684 -0.026384 0.208030 0.122372 0.208647 -0.091267 0.100725 0.028415 0.139763 0.037349 0.355574 -0.026805 0.036223 -0.067344 -0.145166 -0.138279 0.416972 -0.123058 0.044020 -0.189629 -0.020458 -0.036862 0.006421 -0.114389 -0.016235 -0.093231 -0.041796 -0.004426 -0.032512 -0.008983 0.006056 0.011699 0.022331 -0.022772 -0.058438 0.178670 -0.014567 0.442105 0.079907 0.052885 -0.194696 0.027251 -0.021576 0.028093 0.028447 0.003274 -0.057610 -0.093220 0.035458 -0.042469 -0.077553 -0.130482 -0.100979 0.027570 0.034822 0.028091 0.005217 0.015902 0.052076 0.033291 -0.010111 0.030969 -0.058697 -0.023138 0.031526 0.023087 -0.010858 0.074275 -0.013097 0.022468 0.064770 0.038086 0.007372 0.074127 -0.040569 -0.009008 0.009000 0.058862 -0.007575 0.006874 0.089587 -0.088634 -0.655157 -0.124417 -0.086207 -0.127273 0.021521 0.022315 0.027105 0.062841 -0.051832 -0.032437 0.035874 0.000775 0.041140 -0.000318 0.045236 0.029270 0.100429 0.055385 0.004034 -0.174466 0.088943 -0.095585 -0.002669 -0.052660 0.008397 -0.029518 0.006183 0.021053 0.263068 -0.024213 -0.020645 -0.032216 -0.377015 0.090263 -0.021498 -0.063008 -0.007343 -0.436701 -0.551386 0.082510 0.010152 0.020317 0.022596 -0.109599 0.004692 0.257074 0.012192 0.028359 -0.007327 0.080955 -0.031152 0.022810 -0.023552 0.070533 -0.292671 -0.014569 0.019857 0.085715 -0.076417 0.034767 0.069744 -0.000092 0.403440 -0.018082 0.107090 -0.003956 0.033672 0.469403 -0.367946 0.564946 0.035498 0.043168 -0.035607 0.067717 0.004226 -0.321079 -0.058918 0.056221 0.062792 0.009585 0.069712 0.044478 0.043988 0.343948 -0.245440 -0.013103 0.004961 -0.074211 -0.193467 0.016406 0.066104 0.018036 0.391425 -0.012554 0.018343 -0.043265 0.050385 0.286049 0.507970 0.275815 -0.039797 0.063509 -0.012655 -0.538177 0.011662 -0.564718 -0.025307 0.023620 -0.011710 0.084384 0.024768 0.028320 0.009928 -0.071534 -0.136543 -0.067275 -0.052158 0.031863 0.051370 -0.093332 -0.014138 -0.013620 -0.411048 -0.103432 -0.061951 0.030858 0.007337 -0.307232 0.370633 -0.449355 -0.051575 -0.035687 0.078038 0.429897 0.040645 -0.014400 0.069422 -0.004357 -0.016144 0.031156 -0.057925 0.041227 -0.000996 -0.374994 0.046588 0.041701 -0.005279 -0.096098 -0.026041 0.002249 -0.024320 0.081171 -0.082189 -0.117036 -0.085077 0.090554 0.233460 0.019971 -0.043918 0.110049 -0.023925 -0.014883 -0.013676 0.207264 0.122268 0.207508 -0.073934 0.088039 0.033220 0.139868 0.037594 0.354931 -0.024506 0.027187 -0.055798 -0.145469 -0.138000 0.417760 -0.121981 0.041384 -0.192055 -0.020411 -0.025003 0.007632 -0.086444 -0.013435 -0.067040 -0.043962 -0.003670 -0.024710 -0.009395 0.004546 0.005674 0.018160 -0.019839 -0.039684 0.178265 -0.014831 0.443094 0.079810 0.053481 -0.200787 0.022321 -0.018629 0.024614 0.034956 0.006336 -0.043886 -0.081353 0.037129 -0.027126 -0.078926 -0.129566 -0.099363 0.031626 0.033413 0.028198 0.000152 0.011374 0.052361 0.028199 -0.008027 0.024841 -0.043377 -0.025652 0.036160 0.020239 -0.007948 0.056689 -0.014339 0.028028 0.053365 0.038465 0.008573 0.070188 -0.030255 -0.006417 0.008162 0.051179 -0.001372 0.005321 0.089315 -0.088418 -0.654699 -0.123877 -0.085590 -0.126545 0.018427 0.019999 0.019333 0.059619 -0.054366 -0.035645 0.025044 -0.003490 0.035982 -0.008189 0.037817 0.021094 0.101184 0.059174 0.002349 -0.173875 0.088301 -0.095208 -0.007207 -0.050306 0.008936 -0.032349 0.013984 0.024747 0.211003 -0.017231 -0.004933 -0.035706 -0.376384 0.092679 -0.023035 -0.060615 0.002693 -0.431968 -0.549060 0.082618 0.009075 0.014867 0.019491 -0.108351 0.005829 0.257728 0.011523 0.031052 -0.000799 0.065587 -0.033585 0.014978 -0.024598 0.071651 -0.295560 -0.015118 0.029277 0.067358 -0.101758 0.046635 0.131708 0.005036 0.403086 -0.016966 0.092377 0.006987 0.017314 0.466143 -0.365505 0.564870 0.025025 0.041161 -0.042088 0.066392 0.004053 -0.321460 -0.052182 0.043655 0.053612 0.013106 0.059239 0.045478 0.045143 0.345210 -0.245712 -0.010685 -0.005634 -0.062792 -0.139382 0.008571 0.073434 0.019069 0.391120 -0.020828 0.014730 -0.030179 0.038740 0.286370 0.503764 0.281985 -0.029786 0.051524 -0.010748 -0.538660 0.010420 -0.562360 -0.014384 0.014992 -0.011534 0.059522 0.025049 0.017752 0.009894 -0.072210 -0.136829 -0.054142 -0.051892 0.026590 0.049961 -0.081906 -0.014629 -0.016212 -0.408119 -0.101371 -0.051631 0.020140 0.002260 -0.308931 0.369703 -0.451714 -0.038857 -0.032222 0.063569 0.430569 0.040846 -0.013588 0.065291 0.000379 -0.014926 0.023573 -0.049106 0.036205 -0.000970 -0.376383 0.046415 0.032992 -0.003501 -0.081064 -0.022408 0.000689 -0.019985 0.009623 -0.033484 0.113428 -0.084659 0.090637 0.232964 0.021803 -0.043505 0.109188 -0.018551 -0.011771 -0.012452 0.207769 0.122264 0.208220 -0.061386 0.060408 0.026773 0.139958 0.037576 0.354257 -0.012783 0.019463 -0.049497 -0.145314 -0.138180 0.417345 -0.123807 0.042607 -0.192122 -0.018984 -0.022273 0.011027 -0.066274 -0.012021 -0.061395 -0.036099 -0.001299 -0.022905 -0.006568 0.004385 0.007338 0.014998 -0.017525 -0.036253 0.179398 -0.014820 0.442025 0.080581 0.052932 -0.199362 0.016624 -0.014936 0.022830 0.025813 0.003555 -0.041475 -0.063864 0.033483 -0.028595 -0.079469 -0.131261 -0.100698 0.029342 0.034687 0.028874 -0.001798 0.012586 0.049927 0.023428 -0.006286 0.018188 -0.046511 -0.022570 0.034215 0.018261 -0.006908 0.051992 -0.014799 0.020065 0.046914 0.037874 0.007815 0.072000 -0.022178 -0.009422 0.010938 0.050186 -0.000117 0.000586 0.089600 -0.088590 -0.654889 -0.123925 -0.086076 -0.128149 0.015837 0.017019 0.020082 0.061255 -0.054222 -0.036421 0.019611 -0.001724 0.034762 -0.006482 0.034809 0.013034 0.103001 0.058473 0.003104 -0.174128 0.088662 -0.096078 0.002363 -0.043188 0.006810 -0.029849 0.010950 0.020266 0.143891 -0.020002 -0.008671 -0.033453 -0.377401 0.092097 -0.026359 -0.050366 0.008133 -0.432691 -0.544650 0.084547 0.008596 0.015873 0.019938 -0.109310 0.005667 0.257385 0.017529 0.029178 -0.001817 0.054998 -0.032568 0.014802 -0.025447 0.071016 -0.293256 -0.010507 0.035700 0.062807 -0.004815 0.010722 -0.092846 0.001522 0.402647 -0.017385 0.079732 0.008750 0.021772 0.466334 -0.365608 0.567232 0.020084 0.037737 -0.036388 0.067769 0.003916 -0.321703 -0.058262 0.039047 0.051235 0.006416 0.058991 0.047775 0.045371 0.344441 -0.245457 -0.010863 -0.009403 -0.064342 -0.096517 0.004586 0.090514 0.020196 0.392437 -0.022319 0.007816 -0.027364 0.031858 0.287683 0.498862 0.282684 -0.025790 0.040777 -0.008242 -0.538858 0.010384 -0.564415 -0.024618 0.009522 -0.004655 0.050559 0.019520 0.016871 0.010008 -0.071896 -0.137102 -0.051303 -0.051162 0.021302 0.041627 -0.063818 -0.014699 -0.017469 -0.407627 -0.101413 -0.045789 0.015987 0.001894 -0.308840 0.369440 -0.454499 -0.033625 -0.028117 0.063138 0.431069 0.040854 -0.013756 0.061591 -0.000281 -0.012503 0.019804 -0.046712 0.032571 -0.000858 -0.375720 0.045878 0.028626 0.007301 -0.074240 -0.025748 0.007138 -0.021520 -0.124654 0.057185 0.556685 -0.082305 0.090586 0.232546 0.024192 -0.043126 0.108886 -0.014541 -0.011272 -0.010808 0.208003 0.122586 0.209976 -0.039974 0.017384 0.010703 0.139565 0.037693 0.354158 0.010406 0.002752 -0.035630 -0.144895 -0.138069 0.417479 -0.126370 0.045108 -0.190625 -0.017903 -0.017541 0.018953 -0.026471 -0.009892 -0.050246 -0.020246 0.002930 -0.019390 -0.005714 0.003233 0.009761 0.009100 -0.012275 -0.028532 0.177065 -0.014672 0.440930 0.081697 0.053565 -0.195861 0.007336 -0.006815 0.019534 0.010714 0.000979 -0.035479 -0.035141 0.028360 -0.028256 -0.080671 -0.132977 -0.102110 0.023721 0.037100 0.030746 -0.006520 0.014344 0.047136 0.016468 -0.002682 0.008578 -0.052314 -0.016479 0.031769 0.013563 -0.005285 0.043907 -0.015571 0.006369 0.036595 0.038637 0.007552 0.075332 -0.008521 -0.014619 0.016800 0.049699 0.002614 -0.007052 0.089750 -0.088619 -0.654645 -0.124146 -0.084769 -0.128168 0.010576 0.012122 0.021173 0.063556 -0.053743 -0.036087 0.007639 0.001547 0.032655 -0.004894 0.030439 0.002432 0.104643 0.057678 0.005557 -0.174247 0.087741 -0.094459 0.018213 -0.034211 0.005543 -0.027562 0.006220 0.014890 0.023412 -0.023843 -0.011231 -0.021851 -0.377525 0.092433 -0.040697 -0.030193 0.008073 -0.432459 -0.555387 0.090167 0.002760 0.019242 0.024174 -0.108020 0.005119 0.257420 0.027079 0.023556 -0.008200 0.031611 -0.027539 0.011682 -0.023096 0.070348 -0.301247 -0.003325 0.031750 0.065280 0.179711 -0.060092 -0.546994 -0.012558 0.402608 -0.016277 0.050090 -0.002085 0.019530 0.465563 -0.366307 0.571303 0.016767 0.034426 -0.019107 0.066564 0.003977 -0.321416 -0.053457 0.031733 0.051401 0.001046 0.058256 0.040778 0.044535 0.345216 -0.244813 -0.007734 -0.001753 -0.072543 -0.026763 -0.000888 0.102231 0.024139 0.393955 -0.022039 -0.004430 -0.023382 0.021397 0.286875 0.509134 0.286726 -0.018739 0.019530 -0.007805 -0.538353 0.011341 -0.563856 -0.032302 0.002185 0.001197 0.042808 0.009579 0.019138 0.010309 -0.071116 -0.136758 -0.045169 -0.043899 0.011909 0.027582 -0.038033 -0.011780 -0.021732 -0.406580 -0.099560 -0.034506 0.018255 0.002826 -0.307257 0.369479 -0.458637 -0.026415 -0.024788 0.059469 0.430134 0.041260 -0.013692 0.047975 -0.001573 -0.012922 0.018243 -0.038100 0.026503 -0.001147 -0.376216 0.045535 0.022628 0.015693 -0.053790 -0.031704 0.013612 -0.021879 -0.114202 0.051668 0.522872 -0.082978 0.090608 0.233171 0.025230 -0.043266 0.108686 -0.012953 -0.011427 -0.010039 0.207976 0.122590 0.210633 -0.030500 0.005242 0.006298 0.139409 0.037766 0.354272 0.014798 -0.001574 -0.031366 -0.144962 -0.138053 0.417728 -0.127709 0.045471 -0.190470 -0.016599 -0.014928 0.020433 -0.014636 -0.010037 -0.043392 -0.016292 0.005113 -0.016209 -0.003813 0.002815 0.011749 0.006371 -0.010156 -0.025952 0.178487 -0.014670 0.441105 0.081780 0.053522 -0.195183 0.004900 -0.004581 0.018187 0.005805 -0.000004 -0.033133 -0.025891 0.026492 -0.027390 -0.081119 -0.133517 -0.102393 0.023317 0.037795 0.031675 -0.006777 0.015303 0.045571 0.012495 -0.001897 0.004668 -0.054066 -0.014484 0.032275 0.012233 -0.003721 0.040750 -0.016184 0.003153 0.032584 0.037910 0.007304 0.075571 -0.004448 -0.016573 0.018501 0.049359 0.003209 -0.008910 0.089613 -0.088644 -0.654325 -0.124270 -0.085468 -0.128600 0.009294 0.010014 0.021660 0.063940 -0.053742 -0.035716 0.003831 0.003022 0.031299 -0.006029 0.029404 -0.000944 0.105493 0.057371 0.006691 -0.174336 0.088416 -0.094716 0.021849 -0.031203 0.005218 -0.026662 0.005796 0.014046 -0.002030 -0.024400 -0.012833 -0.021160 -0.376521 0.091325 -0.043494 -0.024065 0.010373 -0.432775 -0.550383 0.091172 0.002953 0.018964 0.024762 -0.108809 0.005163 0.257238 0.027841 0.021899 -0.011979 0.024588 -0.023925 0.012088 -0.024126 0.070144 -0.297087 -0.000103 0.031175 0.058479 0.178071 -0.050895 -0.522237 -0.014231 0.402239 -0.017035 0.046915 0.003299 0.020220 0.464860 -0.365944 0.572816 0.013681 0.034079 -0.015536 0.067233 0.004134 -0.321276 -0.052484 0.029887 0.047874 -0.000954 0.057068 0.041719 0.044484 0.344728 -0.244088 -0.007713 -0.001780 -0.076196 -0.007703 -0.000195 0.107506 0.024448 0.393224 -0.022586 -0.008348 -0.023125 0.017325 0.286658 0.503477 0.286896 -0.016926 0.013471 -0.006632 -0.538637 0.011191 -0.563105 -0.035560 0.000355 0.004023 0.039095 0.005887 0.020121 0.010165 -0.071034 -0.136633 -0.042163 -0.042594 0.009651 0.021474 -0.026868 -0.009384 -0.022274 -0.406209 -0.099493 -0.031225 0.009464 0.002804 -0.306612 0.368955 -0.460104 -0.023982 -0.025288 0.058290 0.430103 0.041103 -0.013209 0.045347 -0.002848 -0.012786 0.017661 -0.035459 0.024072 -0.001255 -0.375744 0.045585 0.020203 0.018274 -0.047512 -0.032881 0.014967 -0.021534 -0.082308 0.035205 0.420573 -0.081722 0.090447 0.233576 0.027925 -0.044176 0.108263 -0.008892 -0.012295 -0.003669 0.208089 0.122287 0.212669 -0.001416 -0.031415 -0.006809 0.139167 0.037502 0.353900 0.030808 -0.012532 -0.017927 -0.144989 -0.138413 0.417810 -0.130914 0.047574 -0.189295 -0.013277 -0.007222 0.024846 0.018055 -0.007045 -0.028719 -0.003154 0.008472 -0.012333 -0.000813 0.002317 0.013884 0.000960 -0.006043 -0.016907 0.176441 -0.014791 0.439837 0.082666 0.053443 -0.193044 -0.002940 0.001981 0.016003 -0.008743 -0.002790 -0.025583 -0.000891 0.018379 -0.024617 -0.082556 -0.135829 -0.103523 0.018972 0.039403 0.034016 -0.011577 0.016548 0.042964 0.005437 0.001015 -0.003111 -0.057719 -0.008521 0.030854 0.007881 -0.001883 0.031668 -0.016429 -0.008529 0.021833 0.037732 0.006366 0.078625 0.007631 -0.022260 0.024025 0.046741 0.006660 -0.014519 0.089562 -0.088718 -0.653758 -0.124484 -0.084843 -0.129144 0.003652 0.005813 0.022432 0.065146 -0.053700 -0.036688 -0.008027 0.004018 0.028939 -0.005608 0.024083 -0.010980 0.107690 0.057293 0.008872 -0.174700 0.087483 -0.093700 0.032823 -0.021649 0.003345 -0.025257 0.003530 0.009859 -0.080315 -0.023677 -0.021539 -0.008597 -0.377732 0.089820 -0.054967 -0.006030 0.009738 -0.432620 -0.557662 0.096214 -0.003993 0.018895 0.026028 -0.108924 0.004763 0.257411 0.034742 0.014486 -0.016855 0.004396 -0.016154 0.010813 -0.022819 0.069108 -0.304338 0.009669 0.025974 0.055255 0.163614 -0.017310 -0.420659 -0.029440 0.401856 -0.016455 0.026356 -0.004101 0.012414 0.464137 -0.366851 0.576068 0.011831 0.026854 -0.003886 0.067175 0.003754 -0.321211 -0.048488 0.021977 0.046276 -0.008453 0.047655 0.036759 0.044160 0.344595 -0.243324 -0.009126 0.002774 -0.080751 0.050768 -0.004123 0.116547 0.027223 0.394986 -0.023864 -0.019884 -0.018292 0.004334 0.287123 0.509433 0.290668 -0.009776 -0.005438 -0.005115 -0.538743 0.011254 -0.564356 -0.038706 -0.005358 0.012335 0.027117 -0.003759 0.020047 0.010235 -0.070561 -0.136846 -0.031557 -0.031899 0.003753 0.007444 0.001544 -0.004896 -0.026048 -0.405122 -0.097614 -0.017879 0.010144 0.003585 -0.306448 0.368693 -0.465250 -0.012977 -0.016741 0.050491 0.429718 0.041165 -0.013245 0.037630 -0.001744 -0.006838 0.013518 -0.024152 0.016938 -0.001596 -0.375964 0.045009 0.011377 0.022532 -0.025831 -0.037834 0.023063 -0.022097 -0.021018 0.004478 0.217630 -0.078625 0.090002 0.234107 0.033336 -0.044667 0.107097 -0.002815 -0.013800 0.004788 0.208413 0.122180 0.215485 0.053354 -0.110241 -0.032526 0.138589 0.037459 0.353089 0.063795 -0.038906 0.010252 -0.144597 -0.138630 0.417886 -0.136587 0.050612 -0.187773 -0.008785 0.007962 0.033331 0.082239 -0.002100 0.002891 0.019811 0.015567 -0.002189 0.007846 0.001057 0.017766 -0.008691 0.003023 -0.000133 0.176492 -0.015114 0.439003 0.084446 0.053777 -0.189531 -0.022078 0.014544 0.009412 -0.037099 -0.008338 -0.012874 0.048767 0.005351 -0.019367 -0.085223 -0.139657 -0.105969 0.011319 0.043097 0.038411 -0.019021 0.018978 0.038163 -0.010719 0.006462 -0.021997 -0.065515 0.003972 0.028636 -0.000881 0.003572 0.014640 -0.016462 -0.030795 0.000377 0.037079 0.004969 0.083144 0.033248 -0.032490 0.034358 0.041629 0.012185 -0.026136 0.089533 -0.089032 -0.653510 -0.124798 -0.083883 -0.131364 -0.008131 -0.003847 0.022822 0.068348 -0.053891 -0.037397 -0.028319 0.007077 0.025013 -0.006274 0.014727 -0.030689 0.111944 0.056282 0.013178 -0.175001 0.086126 -0.093515 0.057930 -0.006062 0.000377 -0.022335 -0.000084 -0.000742 -0.240895 -0.024125 -0.039658 0.005558 -0.376531 0.088537 -0.070596 0.032313 0.006103 -0.431966 -0.558603 0.105349 -0.012738 0.016793 0.023654 -0.108556 0.003679 0.256792 0.045872 0.004258 -0.026356 -0.037120 0.001589 0.009824 -0.022997 0.067626 -0.309110 0.027973 0.024946 0.041360 0.132524 0.050158 -0.219349 -0.048077 0.399903 -0.016614 -0.011552 -0.011474 -0.003485 0.461205 -0.367858 0.584007 0.002599 0.015254 0.018327 0.067002 0.003466 -0.320965 -0.036710 0.010336 0.038748 -0.018037 0.031008 0.028931 0.043039 0.344587 -0.241920 -0.005453 0.012709 -0.084978 0.173969 -0.011247 0.147103 0.032515 0.395607 -0.026266 -0.041754 -0.009487 -0.019647 0.286449 0.507513 0.296432 0.004271 -0.042329 -0.001502 -0.539041 0.011903 -0.563737 -0.052549 -0.018623 0.025247 0.005366 -0.021995 0.022770 0.010415 -0.069872 -0.136775 -0.015192 -0.009815 -0.007720 -0.019454 0.054533 0.005774 -0.032544 -0.402591 -0.094163 0.005916 0.006380 0.003538 -0.303478 0.367748 -0.474582 0.000482 -0.009574 0.033403 0.429312 0.041256 -0.012537 0.011327 -0.004424 0.002907 0.008466 -0.003621 0.007728 -0.002004 -0.376535 0.044133 -0.004213 0.028904 0.015288 -0.044477 0.034315 -0.022733 0.023546 -0.023833 0.062903 -0.078830 0.089987 0.234502 0.033429 -0.045140 0.108288 -0.003271 -0.015870 0.006679 0.208475 0.122159 0.216094 0.046892 -0.095151 -0.032619 0.138559 0.037564 0.353458 0.053148 -0.033715 0.011047 -0.144549 -0.138679 0.418367 -0.136176 0.050705 -0.187272 -0.007732 0.005972 0.029211 0.068619 -0.000668 0.003648 0.018818 0.014271 -0.001532 0.008316 0.001448 0.016134 -0.006916 0.003915 -0.000017 0.176528 -0.015068 0.439432 0.084321 0.053487 -0.189958 -0.020489 0.011893 0.010096 -0.034573 -0.007783 -0.012380 0.042500 0.005859 -0.017300 -0.085383 -0.139600 -0.105328 0.011807 0.042640 0.040090 -0.017136 0.016615 0.037147 -0.011371 0.005761 -0.019450 -0.065445 0.002692 0.028318 -0.000267 0.003835 0.013597 -0.015610 -0.025428 0.000483 0.037403 0.004815 0.083371 0.030341 -0.031559 0.033611 0.042094 0.011997 -0.023711 0.089576 -0.089018 -0.652971 -0.124758 -0.084295 -0.130656 -0.007461 -0.004183 0.020891 0.067777 -0.053868 -0.037278 -0.024841 0.005868 0.024348 -0.007247 0.014926 -0.028059 0.111786 0.056872 0.014083 -0.175045 0.086504 -0.093083 0.049822 -0.007467 0.001209 -0.020977 0.002668 0.000084 -0.193944 -0.023996 -0.036259 0.006598 -0.377839 0.087075 -0.063797 0.034602 0.003338 -0.432154 -0.557025 0.105648 -0.010478 0.015427 0.022973 -0.109386 0.003596 0.257335 0.044227 0.002277 -0.028457 -0.036061 0.004820 0.009801 -0.022926 0.067353 -0.308342 0.029513 0.022141 0.038556 0.071841 0.072662 -0.063897 -0.049597 0.399908 -0.016858 -0.013061 -0.012836 -0.006680 0.461391 -0.368684 0.583492 0.005107 0.011366 0.018836 0.067774 0.003382 -0.320799 -0.032699 0.008725 0.037267 -0.015385 0.026931 0.025583 0.043193 0.343426 -0.241822 -0.003867 0.015459 -0.085073 0.147144 -0.009450 0.137254 0.032968 0.396617 -0.026465 -0.040562 -0.010957 -0.020728 0.287028 0.505830 0.297488 0.005622 -0.044265 -0.001537 -0.538663 0.011962 -0.564895 -0.046194 -0.017824 0.027688 0.007130 -0.022297 0.023919 0.010480 -0.069694 -0.136374 -0.012085 -0.005837 -0.007316 -0.021761 0.048538 0.007998 -0.033122 -0.402295 -0.093743 0.006847 0.007340 0.004099 -0.304163 0.368412 -0.475369 0.000227 -0.008726 0.030827 0.429076 0.041277 -0.012376 0.008817 -0.003909 0.004176 0.009934 -0.000604 0.005452 -0.002049 -0.375442 0.044293 -0.007173 0.026240 0.019611 -0.041471 0.032266 -0.021194 0.121434 -0.084471 -0.279404 -0.078066 0.090225 0.234044 0.034316 -0.046006 0.110142 -0.004537 -0.019445 0.009790 0.208948 0.122209 0.216805 0.033566 -0.055434 -0.031168 0.138642 0.037561 0.353255 0.029692 -0.021005 0.010158 -0.144481 -0.139111 0.418290 -0.135541 0.051015 -0.187068 -0.006432 -0.000539 0.019766 0.037514 0.002066 0.005696 0.014148 0.011556 0.000314 0.010696 0.001924 0.011110 -0.003666 0.006841 -0.000356 0.177147 -0.015169 0.439917 0.084112 0.053170 -0.191703 -0.015423 0.007608 0.011587 -0.028555 -0.006690 -0.012278 0.026650 0.003725 -0.013912 -0.085758 -0.139668 -0.104693 0.012259 0.042508 0.042762 -0.013008 0.012819 0.032114 -0.010351 0.003472 -0.015852 -0.061446 0.000359 0.027500 -0.000094 0.004144 0.011486 -0.013523 -0.014526 0.000891 0.037728 0.004400 0.083122 0.024721 -0.029234 0.032566 0.041990 0.010661 -0.020657 0.089644 -0.088940 -0.653173 -0.124733 -0.084240 -0.130694 -0.004961 -0.004028 0.016140 0.067129 -0.053576 -0.039090 -0.018002 0.003533 0.021501 -0.009125 0.014282 -0.021442 0.111301 0.058025 0.015225 -0.175343 0.086436 -0.093363 0.030180 -0.008465 0.000657 -0.018115 0.007709 0.002751 -0.084841 -0.019715 -0.029161 0.007872 -0.377328 0.086865 -0.050603 0.027110 0.001456 -0.431396 -0.555223 0.106353 -0.005028 0.012069 0.022147 -0.109632 0.003374 0.257463 0.040865 0.003019 -0.025743 -0.020870 0.001836 0.007111 -0.023763 0.067520 -0.306766 0.025690 0.022384 0.030293 -0.070761 0.117626 0.285954 -0.051618 0.399266 -0.017948 0.001892 -0.009999 -0.005002 0.460883 -0.371207 0.584870 0.009136 0.013818 0.013738 0.068167 0.003182 -0.320911 -0.031934 0.007290 0.035598 -0.012078 0.018646 0.026034 0.043268 0.344018 -0.241244 -0.004431 0.008504 -0.081308 0.075670 -0.006988 0.127372 0.031824 0.395662 -0.025721 -0.033621 -0.012098 -0.018938 0.286498 0.504080 0.299548 0.004146 -0.036490 0.001083 -0.539025 0.012266 -0.566421 -0.038917 -0.016076 0.026240 0.011663 -0.015813 0.022882 0.010475 -0.069897 -0.136286 -0.011729 -0.008401 -0.003949 -0.016326 0.028140 0.009023 -0.032413 -0.401422 -0.092689 0.004590 0.006018 0.006537 -0.303910 0.370681 -0.476901 -0.001973 -0.010499 0.028176 0.429691 0.041479 -0.012214 0.015469 -0.001250 0.005042 0.010121 0.000615 0.004676 -0.001948 -0.376189 0.044460 -0.007045 0.024769 0.017605 -0.034722 0.029521 -0.022066 0.102585 -0.072468 -0.217126 -0.076475 0.089912 0.233461 0.034679 -0.046606 0.111017 -0.005271 -0.020791 0.011387 0.209032 0.122223 0.216673 0.021726 -0.032760 -0.025675 0.138498 0.037515 0.352917 0.017551 -0.015371 0.011918 -0.144238 -0.139241 0.417849 -0.134822 0.050745 -0.187285 -0.004442 -0.003318 0.013896 0.020797 0.002425 0.003610 0.010856 0.010133 0.001212 0.008445 0.001721 0.007722 -0.002360 0.009246 -0.000710 0.174381 -0.015355 0.438973 0.083685 0.053477 -0.193060 -0.012544 0.006478 0.013605 -0.024861 -0.005229 -0.012451 0.017106 0.002357 -0.011379 -0.085704 -0.139272 -0.104647 0.011465 0.041646 0.043811 -0.010318 0.009486 0.028713 -0.008394 0.002212 -0.013114 -0.057694 -0.001459 0.027497 0.000642 0.003417 0.009173 -0.012531 -0.008015 0.000954 0.038816 0.004683 0.081570 0.021680 -0.028012 0.032052 0.042320 0.010627 -0.019643 0.089661 -0.089043 -0.653692 -0.124693 -0.082935 -0.130061 -0.003543 -0.003162 0.011753 0.066364 -0.053726 -0.040708 -0.012923 0.001956 0.019271 -0.009510 0.013821 -0.016524 0.110078 0.058249 0.015761 -0.175088 0.084933 -0.093068 0.018543 -0.010014 -0.000677 -0.016086 0.010005 0.004631 -0.036781 -0.019456 -0.021573 0.016849 -0.376377 0.085299 -0.046643 0.022991 0.000468 -0.429901 -0.561777 0.106281 -0.002838 0.011286 0.023668 -0.108991 0.003366 0.257395 0.040286 0.003349 -0.023087 -0.014343 -0.000903 0.004741 -0.021880 0.067475 -0.317446 0.025109 0.023066 0.036919 -0.067300 0.100553 0.232812 -0.060762 0.399224 -0.018291 0.014397 -0.007461 -0.003309 0.460411 -0.373065 0.585337 0.011218 0.016659 0.011317 0.067576 0.002894 -0.321320 -0.032649 0.007093 0.035143 -0.009460 0.016382 0.026402 0.043161 0.344350 -0.240931 -0.004340 0.005271 -0.081256 0.038036 -0.004980 0.122206 0.031518 0.394223 -0.025232 -0.029769 -0.012682 -0.017707 0.284518 0.510752 0.301456 0.003805 -0.032287 0.001991 -0.538869 0.012224 -0.565223 -0.033543 -0.013893 0.022448 0.013170 -0.011393 0.021692 0.010609 -0.070017 -0.136587 -0.011382 -0.010760 -0.002240 -0.012556 0.015678 0.008414 -0.032423 -0.401279 -0.092091 0.002904 0.004725 0.007506 -0.302613 0.372217 -0.477963 -0.003437 -0.013739 0.027365 0.429284 0.041586 -0.012383 0.018212 0.000557 0.005747 0.012505 0.000052 0.004275 -0.001981 -0.376718 0.044252 -0.007486 0.023102 0.016724 -0.031035 0.027224 -0.022828 0.042975 -0.035700 -0.020063 -0.075339 0.089937 0.232167 0.036442 -0.047635 0.114335 -0.007395 -0.025415 0.015067 0.209531 0.122402 0.217558 -0.011646 0.039377 -0.011401 0.138560 0.037767 0.352568 -0.019902 0.007271 0.011238 -0.144160 -0.139508 0.417534 -0.133741 0.050758 -0.187072 -0.001133 -0.013232 -0.003654 -0.032309 0.005720 0.000831 0.001520 0.004812 0.002956 0.011987 0.002516 -0.000753 0.005507 0.013246 -0.001144 0.174876 -0.015430 0.438689 0.082938 0.053361 -0.195939 -0.007033 -0.001014 0.017674 -0.014517 -0.003527 -0.011790 -0.015345 -0.000246 -0.005454 -0.086230 -0.138668 -0.103318 0.012414 0.040741 0.048826 -0.002901 0.001571 0.020231 -0.005443 -0.001928 -0.005123 -0.048969 -0.007108 0.023041 0.001612 0.003815 0.005602 -0.009217 0.012355 0.002689 0.039293 0.004523 0.080764 0.011068 -0.021961 0.028725 0.039151 0.008969 -0.014544 0.089639 -0.088888 -0.653851 -0.124634 -0.082854 -0.129911 0.000831 -0.001722 0.004583 0.064624 -0.053391 -0.045811 0.000241 -0.002915 0.015134 -0.013102 0.013077 -0.004203 0.109401 0.060244 0.018121 -0.175317 0.084945 -0.093720 -0.014938 -0.014514 -0.001055 -0.011137 0.017786 0.008380 0.104308 -0.017964 -0.007982 0.024738 -0.374950 0.082978 -0.011056 0.007973 -0.000718 -0.427802 -0.555783 0.106339 0.007435 0.008135 0.025972 -0.109524 0.002979 0.257608 0.030909 0.004078 -0.013698 0.006523 -0.008019 -0.003014 -0.022408 0.067505 -0.316544 0.016437 0.018126 0.020371 -0.048315 0.031685 0.037353 -0.069903 0.398113 -0.020340 0.031683 -0.005982 0.008346 0.458850 -0.379241 0.587462 0.015956 0.011767 0.000158 0.068125 0.002377 -0.321679 -0.027732 0.002443 0.029935 -0.000743 0.010630 0.021148 0.043081 0.344125 -0.240479 -0.005945 -0.008683 -0.064178 -0.068859 0.003407 0.110150 0.029222 0.391892 -0.023673 -0.012035 -0.011084 -0.011065 0.283421 0.505112 0.304817 0.001448 -0.014230 0.009111 -0.538787 0.012946 -0.567101 -0.013879 -0.005702 0.019349 0.017562 0.001469 0.016981 0.010804 -0.069944 -0.136207 -0.007454 -0.013532 0.005452 0.001413 -0.027218 0.006450 -0.031515 -0.399218 -0.089475 -0.004727 0.008229 0.010898 -0.301842 0.378186 -0.480832 -0.008572 -0.009441 0.022332 0.429218 0.042143 -0.012413 0.027251 0.007293 0.007569 0.011846 -0.001717 0.001482 -0.002120 -0.376535 0.044389 -0.007557 0.019406 0.009297 -0.017655 0.019687 -0.024453 0.024848 -0.024877 0.039562 -0.075433 0.089971 0.232472 0.036629 -0.049079 0.115336 -0.007732 -0.025921 0.016320 0.209625 0.122226 0.217997 -0.023118 0.060520 -0.008346 0.138643 0.037861 0.352571 -0.030313 0.011799 0.011255 -0.144322 -0.139648 0.417478 -0.133434 0.051810 -0.187110 0.001934 -0.015139 -0.010367 -0.045649 0.005826 0.000369 -0.000676 0.004554 0.005481 0.011720 0.002039 -0.003850 0.005075 0.016001 -0.001519 0.175056 -0.015391 0.440017 0.082427 0.053118 -0.196998 -0.002222 -0.001584 0.018604 -0.010836 -0.002904 -0.011635 -0.024626 -0.001182 -0.003266 -0.086230 -0.138801 -0.102995 0.012894 0.040507 0.050604 -0.000298 -0.000761 0.016890 -0.005043 -0.003177 -0.004884 -0.045422 -0.008761 0.023074 0.001649 0.004183 0.004033 -0.008461 0.018731 0.002451 0.039255 0.003440 0.080910 0.007667 -0.020127 0.027810 0.040363 0.007372 -0.014067 0.089552 -0.088660 -0.653738 -0.124712 -0.082858 -0.129631 0.003109 -0.002055 0.002068 0.064048 -0.053466 -0.047531 0.003465 -0.003048 0.012622 -0.015122 0.013115 -0.000326 0.108948 0.061383 0.019328 -0.175506 0.084920 -0.093624 -0.025037 -0.015842 -0.003089 -0.010355 0.019882 0.010551 0.145826 -0.019353 -0.002406 0.022243 -0.374977 0.082750 -0.008391 0.005650 -0.000998 -0.427735 -0.556335 0.106232 0.009489 0.007407 0.027497 -0.110855 0.003007 0.258162 0.029028 0.003850 -0.011860 0.012956 -0.010139 -0.004459 -0.022754 0.067448 -0.315970 0.014491 0.017461 0.016752 -0.043079 0.013289 -0.019671 -0.067931 0.397306 -0.021641 0.042634 0.003741 0.010025 0.458639 -0.379948 0.587275 0.017119 0.019679 -0.003017 0.069383 0.002494 -0.321460 -0.026439 0.002414 0.023994 0.000800 0.008847 0.024257 0.043108 0.343128 -0.239406 -0.004939 -0.012655 -0.061962 -0.097611 0.004615 0.109208 0.028075 0.391650 -0.023469 -0.008929 -0.012551 -0.009977 0.283173 0.505874 0.305367 0.000306 -0.009941 0.010691 -0.539122 0.012928 -0.567564 -0.007739 -0.004848 0.016995 0.018690 0.005522 0.016627 0.010765 -0.069905 -0.136167 -0.006418 -0.014710 0.007517 0.003980 -0.038277 0.007299 -0.030838 -0.398266 -0.089129 -0.005985 -0.000664 0.011079 -0.301651 0.378854 -0.481583 -0.009952 -0.018135 0.021201 0.429568 0.042041 -0.012083 0.030063 0.008384 0.007192 0.011957 -0.002468 0.001040 -0.002205 -0.375664 0.044612 -0.007232 0.019455 0.006897 -0.014849 0.017818 -0.024678 0.019484 -0.021218 0.056414 -0.074823 0.090021 0.232139 0.037180 -0.048386 0.115536 -0.007922 -0.025403 0.014955 0.209782 0.122369 0.218214 -0.023707 0.058274 -0.007887 0.138548 0.037921 0.352340 -0.026603 0.012177 0.009284 -0.144281 -0.139754 0.417359 -0.133530 0.051167 -0.186927 0.000272 -0.014864 -0.009786 -0.044587 0.005913 0.001876 -0.002154 0.003541 0.004785 0.011622 0.002274 -0.002674 0.006846 0.012387 0.000203 0.175566 -0.015496 0.439096 0.082104 0.053335 -0.197225 -0.002900 -0.001980 0.018444 -0.008709 -0.002372 -0.009651 -0.025736 -0.001764 -0.002535 -0.086437 -0.138661 -0.102736 0.012701 0.040420 0.052077 -0.000324 -0.001182 0.015280 -0.004263 -0.003046 -0.003575 -0.042768 -0.008505 0.021694 0.001315 0.003325 0.003715 -0.007343 0.020036 0.002305 0.039110 0.003959 0.080986 0.007446 -0.018886 0.027261 0.036834 0.008721 -0.014514 0.089541 -0.088743 -0.653963 -0.124738 -0.082819 -0.130120 0.003478 -0.001276 0.002212 0.063874 -0.053405 -0.049689 0.003144 -0.002866 0.012727 -0.013477 0.012205 0.001269 0.109109 0.061144 0.019587 -0.175660 0.084898 -0.094351 -0.024190 -0.015561 -0.001617 -0.009549 0.019813 0.010771 0.132350 -0.016585 -0.001841 0.027638 -0.374748 0.081103 -0.004218 0.004933 0.000628 -0.427106 -0.552287 0.105977 0.009266 0.006642 0.027614 -0.110818 0.002990 0.258003 0.027247 0.004149 -0.009976 0.012140 -0.011426 -0.005608 -0.023593 0.067494 -0.315434 0.013077 0.018714 0.012807 -0.035030 0.012405 -0.039580 -0.073842 0.397152 -0.022564 0.043837 -0.000242 0.011990 0.457905 -0.381725 0.587736 0.013934 0.014931 -0.003767 0.069341 0.002387 -0.321624 -0.027389 0.002820 0.027009 0.001017 0.008032 0.020847 0.042983 0.343508 -0.239207 -0.005909 -0.015743 -0.066148 -0.094016 0.004084 0.116990 0.027689 0.391170 -0.023191 -0.007198 -0.012665 -0.009549 0.282879 0.501749 0.306404 0.000048 -0.007322 0.012143 -0.539172 0.012996 -0.568351 -0.006781 -0.003905 0.016082 0.018772 0.007338 0.016583 0.010694 -0.069988 -0.136089 -0.005450 -0.015843 0.008589 0.005412 -0.041306 0.006641 -0.030913 -0.397904 -0.088411 -0.008240 0.004048 0.012526 -0.301045 0.380547 -0.482967 -0.009945 -0.012832 0.020526 0.429654 0.042154 -0.012111 0.030520 0.010768 0.008251 0.012278 -0.003311 0.000875 -0.002219 -0.376086 0.044481 -0.007115 0.019574 0.005412 -0.012939 0.015625 -0.026079 0.003598 -0.010896 0.106532 -0.073801 0.089995 0.231868 0.038276 -0.049446 0.116875 -0.008269 -0.019075 0.014994 0.210041 0.122156 0.219190 -0.022509 0.053018 -0.006045 0.138462 0.038007 0.351985 -0.017309 0.012282 0.005086 -0.144419 -0.140118 0.416917 -0.133400 0.052101 -0.186065 -0.002567 -0.012775 -0.008901 -0.035523 0.006592 0.004991 -0.006270 0.003665 0.005114 0.006452 0.002029 -0.002284 0.004853 0.005582 0.004950 0.173741 -0.015650 0.438763 0.080724 0.053878 -0.198076 0.000586 0.001969 0.020406 -0.001919 -0.001321 -0.004202 -0.028402 -0.004093 0.000078 -0.086559 -0.138768 -0.101741 0.012036 0.039627 0.057265 -0.000265 -0.001814 0.011495 -0.001775 -0.002910 -0.001598 -0.036723 -0.008220 0.018860 0.001056 0.000889 0.001986 -0.005119 0.023930 0.000723 0.039008 0.002808 0.081978 0.006755 -0.016069 0.025499 0.031704 0.010106 -0.018048 0.089322 -0.088451 -0.654259 -0.124803 -0.082118 -0.129522 0.005632 0.001359 0.001506 0.062666 -0.053030 -0.057753 0.001859 -0.001954 0.011534 -0.011183 0.008457 0.007009 0.108655 0.062557 0.021770 -0.175881 0.084206 -0.094067 -0.022165 -0.014336 -0.001421 -0.007440 0.018233 0.013675 0.091361 -0.012338 0.001409 0.038683 -0.373412 0.079631 -0.007742 -0.002537 0.000648 -0.424649 -0.556025 0.105101 0.001501 0.003502 0.027190 -0.110942 0.002688 0.258257 0.021891 0.006825 -0.001250 0.007496 -0.008932 -0.007351 -0.022186 0.067606 -0.322895 0.007761 0.017555 0.008828 -0.004328 0.003450 -0.098398 -0.086624 0.396839 -0.025523 0.050185 -0.001524 0.012950 0.456253 -0.387663 0.588644 0.005861 0.020100 -0.006289 0.069263 0.001935 -0.321991 -0.023362 -0.001607 0.021255 -0.001314 0.004143 0.016332 0.042815 0.343371 -0.238488 -0.001891 -0.022188 -0.052696 -0.068596 0.002459 0.123992 0.026013 0.389032 -0.022073 0.000401 -0.007488 -0.003099 0.282084 0.505769 0.309165 -0.000518 0.002012 0.010483 -0.539271 0.013434 -0.569274 -0.005959 -0.005360 0.010183 0.008974 0.009420 0.012659 0.010622 -0.070108 -0.136133 -0.000611 -0.016943 0.009349 0.005777 -0.040537 0.001698 -0.031099 -0.396570 -0.086069 -0.009022 0.005956 0.010308 -0.299943 0.385708 -0.485897 -0.007420 -0.015426 0.019083 0.429258 0.042468 -0.012056 0.021342 0.012891 0.007905 0.009423 -0.003265 0.001706 -0.002324 -0.376100 0.044511 -0.006078 0.019706 0.003938 -0.002211 0.008751 -0.022810 -0.026463 0.008379 0.204657 -0.070391 0.089772 0.230360 0.040698 -0.049270 0.119286 -0.012097 -0.014139 0.016785 0.210514 0.122236 0.220209 -0.027884 0.042414 0.001445 0.138205 0.038544 0.350933 0.000301 0.012955 -0.007326 -0.144386 -0.140388 0.415901 -0.132971 0.051689 -0.184336 -0.009068 -0.010920 -0.006932 -0.019329 0.008438 0.014119 -0.015948 0.001038 0.005887 0.001717 0.000752 0.000839 0.005801 -0.009314 0.014160 0.175105 -0.016257 0.438256 0.078145 0.055320 -0.199716 0.004718 0.004337 0.019132 0.007284 0.001374 0.007453 -0.033843 -0.008413 0.005067 -0.086942 -0.138455 -0.099612 0.012095 0.038533 0.066708 0.000179 -0.003996 0.004035 0.002051 -0.002870 0.002070 -0.025305 -0.006734 0.014030 0.000560 -0.004136 -0.000119 0.000688 0.033018 -0.001475 0.038315 0.002400 0.084464 0.004455 -0.010394 0.021232 0.020840 0.013116 -0.022929 0.088942 -0.088283 -0.655815 -0.124852 -0.081215 -0.130709 0.009811 0.005995 0.001331 0.061126 -0.052914 -0.073610 0.001433 0.001959 0.007675 -0.006252 0.001027 0.017946 0.108841 0.064083 0.025513 -0.176298 0.083289 -0.096602 -0.017562 -0.012047 0.001739 -0.001041 0.015483 0.017691 0.012544 -0.002557 0.008322 0.053859 -0.371625 0.074662 -0.002703 -0.016178 0.004413 -0.420975 -0.543400 0.103077 -0.011273 -0.003931 0.028431 -0.111217 0.002233 0.257878 0.010034 0.011313 0.011472 -0.002507 -0.004993 -0.009905 -0.024825 0.067675 -0.323417 -0.006083 0.014415 -0.011383 0.053531 -0.011775 -0.207710 -0.104641 0.395118 -0.032159 0.053458 -0.000775 0.011043 0.452652 -0.398702 0.590272 -0.011939 0.019553 -0.009570 0.069526 0.001429 -0.322952 -0.017628 -0.007016 0.009576 -0.002070 -0.002574 0.004537 0.042405 0.343518 -0.237828 0.004555 -0.031552 -0.038010 -0.016924 -0.003237 0.157892 0.023259 0.385730 -0.020591 0.011928 0.004017 0.005123 0.281559 0.493178 0.314458 -0.002430 0.018089 0.013270 -0.539571 0.014194 -0.572685 -0.005939 -0.004117 0.000027 -0.004859 0.014711 0.009565 0.010448 -0.070299 -0.136010 0.007250 -0.021743 0.010141 0.010660 -0.040323 -0.003195 -0.031505 -0.393506 -0.081784 -0.012452 0.012283 0.006326 -0.297519 0.396025 -0.492192 -0.002929 -0.010880 0.014458 0.429452 0.043007 -0.011959 0.012217 0.017697 0.007170 0.004733 -0.005096 0.001146 -0.002379 -0.376590 0.044164 -0.004383 0.018266 -0.004764 0.011487 0.002010 -0.021051 -0.080920 0.040909 0.395694 -0.064985 0.089642 0.232432 0.044461 -0.053138 0.124435 -0.018134 -0.002963 0.016319 0.211851 0.121185 0.224348 -0.037357 0.023154 0.018029 0.138405 0.039040 0.349924 0.040433 0.013575 -0.026955 -0.144379 -0.141695 0.414811 -0.130738 0.054757 -0.180763 -0.024907 -0.007943 -0.003378 0.013214 0.009590 0.027902 -0.034203 0.002351 0.007704 -0.019805 -0.001452 0.001955 0.000056 -0.038929 0.032787 0.171205 -0.016972 0.439534 0.073028 0.057422 -0.202547 0.020561 0.014588 0.018113 0.028289 0.006531 0.029496 -0.044207 -0.017244 0.014116 -0.087034 -0.138549 -0.095167 0.012498 0.035710 0.086266 0.000098 -0.008674 -0.012255 0.011726 -0.002543 0.007456 -0.006124 -0.002572 0.009925 -0.000197 -0.014535 -0.006865 0.012645 0.051430 -0.009468 0.038683 -0.001694 0.088948 0.001556 0.000115 0.012577 -0.000276 0.016461 -0.033929 0.088582 -0.087200 -0.656105 -0.124376 -0.077728 -0.129407 0.019834 0.016729 -0.001265 0.057475 -0.051722 -0.112310 -0.002722 0.008114 0.003908 0.003301 -0.011613 0.038487 0.107676 0.070317 0.033653 -0.176540 0.079475 -0.096948 -0.007193 -0.007308 0.005085 0.011499 0.009751 0.028011 -0.144243 0.015233 0.015172 0.087354 -0.367105 0.064556 -0.015493 -0.039788 0.011304 -0.411809 -0.550360 0.099475 -0.033550 -0.014840 0.025242 -0.114034 0.001392 0.259894 -0.024226 0.016200 0.036089 -0.019920 0.000504 -0.012815 -0.024217 0.067843 -0.342668 -0.027597 0.013811 -0.033494 0.150940 -0.035753 -0.413463 -0.144016 0.392680 -0.045557 0.066738 0.001259 0.005910 0.446501 -0.421180 0.592226 -0.048851 0.042087 -0.014774 0.072707 -0.000444 -0.323053 -0.005157 -0.019671 -0.015526 0.002424 -0.014719 -0.016869 0.043125 0.341543 -0.234376 0.017348 -0.054202 0.010854 0.097089 -0.011376 0.189453 0.017262 0.377990 -0.017003 0.040047 0.028533 0.029746 0.278267 0.500586 0.325652 -0.006288 0.051723 0.014320 -0.540246 0.015392 -0.575323 0.001276 -0.001035 -0.027371 -0.037073 0.019425 -0.002213 0.010095 -0.070839 -0.134871 0.023395 -0.031303 0.012450 0.019579 -0.032730 -0.017165 -0.031890 -0.387980 -0.072238 -0.015684 0.021349 -0.003804 -0.291173 0.416032 -0.504214 0.008070 -0.022973 0.005911 0.430096 0.044303 -0.010371 -0.020082 0.025708 0.007499 -0.005689 -0.006892 0.003050 -0.001975 -0.375578 0.044931 0.001799 0.009788 -0.020393 0.046120 -0.020984 -0.010726 -0.065664 0.032938 0.337084 -0.064672 0.089617 0.232781 0.044297 -0.053066 0.124799 -0.018609 -0.001645 0.016442 0.211776 0.121253 0.224504 -0.036539 0.015342 0.018860 0.138336 0.039250 0.349901 0.040897 0.013357 -0.027899 -0.144321 -0.141523 0.414868 -0.130409 0.054855 -0.180624 -0.025342 -0.007208 -0.002710 0.014433 0.009810 0.028789 -0.034588 0.001795 0.007370 -0.020169 -0.001397 0.001023 0.000408 -0.039678 0.033467 0.171397 -0.016944 0.440122 0.072650 0.057732 -0.202464 0.021091 0.014556 0.017057 0.029455 0.007105 0.030730 -0.043427 -0.017468 0.014915 -0.087072 -0.138473 -0.094913 0.012689 0.035564 0.087358 0.000291 -0.009647 -0.013016 0.011268 -0.002515 0.007599 -0.006242 -0.002191 0.009564 -0.000197 -0.014682 -0.007481 0.013367 0.051372 -0.009526 0.038939 -0.001752 0.089433 0.000932 0.001580 0.011962 -0.001663 0.016404 -0.033228 0.088558 -0.087152 -0.656206 -0.124339 -0.077612 -0.129203 0.019763 0.017128 -0.001579 0.057540 -0.051564 -0.115054 -0.003392 0.008473 0.003883 0.003746 -0.011711 0.038918 0.107503 0.070703 0.034140 -0.176581 0.079475 -0.096950 -0.006455 -0.007191 0.005374 0.012315 0.010226 0.027965 -0.145350 0.016004 0.015429 0.086829 -0.367391 0.062559 -0.015477 -0.039217 0.014369 -0.411682 -0.550300 0.099408 -0.033822 -0.015786 0.023139 -0.114523 0.001296 0.259981 -0.024635 0.015776 0.038816 -0.020971 0.001810 -0.012614 -0.024684 0.067805 -0.341915 -0.028011 0.013758 -0.035113 0.136060 -0.026602 -0.357759 -0.143923 0.392330 -0.046765 0.066617 -0.000629 0.005023 0.446260 -0.422264 0.591880 -0.049727 0.042520 -0.014582 0.073153 -0.000543 -0.323177 -0.005223 -0.019607 -0.015466 0.002948 -0.015972 -0.019262 0.043008 0.341098 -0.234807 0.014137 -0.055872 0.012354 0.097974 -0.011438 0.190265 0.017264 0.378387 -0.017089 0.041352 0.030171 0.031597 0.278178 0.500455 0.326046 -0.006339 0.053224 0.014908 -0.540275 0.015647 -0.575748 0.001541 -0.000891 -0.027747 -0.038187 0.019133 -0.003145 0.010108 -0.070674 -0.134777 0.024224 -0.031029 0.012409 0.019546 -0.031889 -0.017616 -0.032111 -0.387572 -0.071979 -0.015831 0.023975 -0.004013 -0.291027 0.417109 -0.504852 0.009133 -0.023075 0.005796 0.430137 0.044515 -0.010375 -0.020921 0.025685 0.009828 -0.006169 -0.006556 0.003217 -0.002032 -0.375055 0.044745 0.002311 0.009093 -0.020937 0.048170 -0.022540 -0.010086 -0.020290 0.009766 0.160888 -0.063304 0.089616 0.233026 0.045475 -0.052740 0.125846 -0.019736 -0.002410 0.017531 0.211924 0.121180 0.225173 -0.036335 0.005045 0.017569 0.138328 0.039458 0.349636 0.041966 0.013052 -0.029461 -0.144383 -0.141601 0.414508 -0.130420 0.054819 -0.179995 -0.026570 -0.006736 -0.000738 0.020599 0.009858 0.030833 -0.035700 0.000659 0.007908 -0.023064 -0.001684 0.001188 0.001114 -0.042688 0.035671 0.170794 -0.017041 0.440083 0.071570 0.058309 -0.202349 0.022513 0.014747 0.016043 0.033042 0.008337 0.034412 -0.041006 -0.018511 0.017200 -0.087180 -0.138491 -0.093928 0.012464 0.035361 0.090149 0.000553 -0.010812 -0.014848 0.013038 -0.001955 0.009324 -0.005204 -0.001219 0.009502 -0.000350 -0.015873 -0.007759 0.015211 0.049525 -0.010423 0.038443 -0.001886 0.090362 -0.001260 0.004497 0.010727 -0.005948 0.017246 -0.032900 0.088420 -0.086947 -0.656416 -0.124281 -0.076774 -0.129652 0.019974 0.018646 -0.001605 0.056782 -0.050985 -0.124231 -0.005353 0.009688 0.002597 0.005337 -0.013306 0.041763 0.107922 0.071649 0.035427 -0.176641 0.078768 -0.097688 -0.004513 -0.005978 0.005917 0.013726 0.010561 0.028646 -0.149697 0.020254 0.017908 0.093525 -0.366367 0.061024 -0.014337 -0.042134 0.014317 -0.410401 -0.546388 0.098900 -0.033603 -0.016424 0.018566 -0.114754 0.001193 0.260058 -0.028212 0.015500 0.044375 -0.023001 0.003367 -0.012029 -0.025196 0.067892 -0.346826 -0.028772 0.010048 -0.036167 0.089348 0.000460 -0.181353 -0.151373 0.391700 -0.048840 0.066315 -0.002285 0.001390 0.445248 -0.426941 0.592003 -0.053529 0.043637 -0.014620 0.073348 -0.000878 -0.323512 -0.004337 -0.019045 -0.019230 0.002197 -0.018217 -0.023659 0.042880 0.341259 -0.234968 0.012450 -0.057318 0.019051 0.106268 -0.011495 0.190897 0.016490 0.377175 -0.016163 0.045002 0.033789 0.035051 0.277882 0.496485 0.327930 -0.006211 0.056703 0.013422 -0.540479 0.016031 -0.576510 0.003434 0.000111 -0.029103 -0.043537 0.019988 -0.004564 0.009956 -0.070708 -0.134790 0.025280 -0.031041 0.013624 0.018377 -0.027798 -0.018683 -0.032522 -0.386438 -0.070445 -0.015352 0.023980 -0.005567 -0.290128 0.421272 -0.507188 0.010230 -0.022994 0.006505 0.430258 0.044930 -0.010363 -0.026471 0.024566 0.011063 -0.006379 -0.005708 0.003283 -0.001959 -0.375171 0.044665 0.003362 0.008314 -0.021800 0.050743 -0.024450 -0.007591 0.063952 -0.031019 -0.179426 -0.061258 0.089546 0.233990 0.047433 -0.053038 0.127911 -0.018126 -0.001847 0.018949 0.212100 0.120794 0.226500 -0.031559 -0.016283 0.016833 0.138261 0.039780 0.349205 0.044396 0.012441 -0.033127 -0.144466 -0.141854 0.413980 -0.130116 0.055219 -0.178650 -0.026728 -0.002303 0.002527 0.031548 0.009620 0.035240 -0.037879 -0.001184 0.008194 -0.028380 -0.001620 0.001541 0.000777 -0.049560 0.040050 0.169830 -0.017288 0.439992 0.069404 0.059358 -0.202139 0.024196 0.016054 0.014013 0.038956 0.010251 0.041676 -0.037386 -0.020612 0.020563 -0.087409 -0.138617 -0.092107 0.012767 0.034745 0.095703 0.001058 -0.013098 -0.020646 0.016070 -0.001143 0.012036 -0.003108 0.000894 0.008080 -0.000920 -0.017443 -0.009324 0.018848 0.046111 -0.012750 0.037794 -0.002735 0.092193 -0.005536 0.010250 0.006555 -0.016148 0.017060 -0.031634 0.088045 -0.086476 -0.656721 -0.124122 -0.075106 -0.130220 0.020207 0.021568 -0.002164 0.055590 -0.049997 -0.143273 -0.006804 0.011003 -0.001469 0.010223 -0.018053 0.047010 0.108195 0.073311 0.037766 -0.176768 0.077064 -0.098931 0.000123 -0.002802 0.007468 0.016965 0.013039 0.031271 -0.159507 0.025647 0.019452 0.107368 -0.364937 0.056603 -0.010508 -0.046652 0.015543 -0.407719 -0.541552 0.098142 -0.035338 -0.018533 0.011622 -0.115965 0.000945 0.260600 -0.035823 0.016344 0.054219 -0.027677 0.006354 -0.011091 -0.025913 0.067884 -0.353768 -0.036132 0.007950 -0.041261 -0.005219 0.046700 0.160043 -0.167032 0.390616 -0.053208 0.066889 -0.004552 -0.002497 0.443055 -0.435073 0.592154 -0.060674 0.047742 -0.012793 0.074551 -0.001469 -0.323681 0.001844 -0.021442 -0.029168 0.002083 -0.022994 -0.029988 0.042741 0.340506 -0.233947 0.009710 -0.061016 0.034010 0.118619 -0.010647 0.200803 0.014923 0.375112 -0.014550 0.050113 0.041121 0.042215 0.277366 0.491413 0.331636 -0.005220 0.061556 0.013609 -0.540846 0.016531 -0.577991 0.005973 0.001454 -0.033239 -0.052563 0.018604 -0.009198 0.009721 -0.070785 -0.134488 0.028021 -0.030477 0.013937 0.017607 -0.020268 -0.020680 -0.033323 -0.384207 -0.067354 -0.014982 0.024921 -0.008363 -0.288713 0.428260 -0.511455 0.015879 -0.019613 0.001629 0.430553 0.045468 -0.009902 -0.035279 0.023640 0.011940 -0.009182 -0.004043 0.005301 -0.001905 -0.374631 0.044654 0.005583 0.007572 -0.021608 0.056900 -0.029480 -0.004546 0.061599 -0.028893 -0.176357 -0.060624 0.089499 0.234498 0.046054 -0.054160 0.128435 -0.016599 -0.003598 0.018471 0.212140 0.120538 0.227079 -0.029723 -0.021383 0.016972 0.138107 0.039864 0.349323 0.038340 0.010720 -0.031524 -0.144397 -0.141926 0.414046 -0.128670 0.056689 -0.178447 -0.025096 -0.001446 0.003659 0.031320 0.009877 0.033219 -0.036099 -0.002584 0.007060 -0.030135 -0.001179 -0.003631 -0.000791 -0.044829 0.038927 0.167581 -0.017310 0.441612 0.069145 0.059456 -0.201439 0.026519 0.017194 0.012406 0.038740 0.010364 0.041251 -0.032826 -0.020112 0.021932 -0.087627 -0.139076 -0.091859 0.012263 0.034101 0.096244 0.000733 -0.015446 -0.022004 0.016387 -0.000538 0.010813 -0.003635 0.001347 0.008781 -0.001075 -0.017830 -0.011485 0.019299 0.040654 -0.013840 0.039290 -0.003910 0.093056 -0.008126 0.012454 0.006012 -0.015289 0.016353 -0.029178 0.088007 -0.086302 -0.656562 -0.124063 -0.074000 -0.128703 0.017856 0.022067 -0.004844 0.055383 -0.049506 -0.146992 -0.008243 0.009304 -0.002682 0.010730 -0.016961 0.045510 0.106790 0.074430 0.037919 -0.176860 0.075972 -0.097253 0.000062 -0.001538 0.006072 0.016835 0.014324 0.031762 -0.143585 0.025129 0.023734 0.105645 -0.365599 0.056854 -0.015427 -0.045857 0.015063 -0.407251 -0.554274 0.098709 -0.034853 -0.016624 0.009039 -0.116315 0.000674 0.261181 -0.035136 0.016750 0.055146 -0.028464 0.007108 -0.011547 -0.024569 0.067778 -0.358514 -0.036193 0.007942 -0.035443 -0.007467 0.047021 0.160088 -0.166263 0.390675 -0.054444 0.070947 -0.008577 -0.002218 0.443041 -0.436642 0.592074 -0.058083 0.053912 -0.013123 0.074819 -0.001833 -0.323426 0.003464 -0.020768 -0.030057 0.002273 -0.021021 -0.030430 0.043121 0.340064 -0.234209 0.009767 -0.057494 0.036339 0.108831 -0.009805 0.201943 0.015265 0.375850 -0.014318 0.048777 0.041628 0.041998 0.277271 0.504330 0.331416 -0.004868 0.059124 0.014572 -0.540920 0.016885 -0.578286 0.006261 0.000978 -0.032641 -0.052481 0.017429 -0.009128 0.009537 -0.070687 -0.134137 0.027071 -0.030168 0.012158 0.015719 -0.018966 -0.020344 -0.034081 -0.384095 -0.067091 -0.013863 0.026861 -0.007926 -0.289055 0.429441 -0.511910 0.017073 -0.028315 0.001684 0.430673 0.045757 -0.009524 -0.034747 0.021348 0.012667 -0.009013 -0.004057 0.005428 -0.001820 -0.374306 0.044829 0.006414 0.008059 -0.019685 0.055184 -0.028334 -0.004777 0.055460 -0.022631 -0.168155 -0.059596 0.089490 0.234890 0.048124 -0.052602 0.129948 -0.016050 -0.010832 0.020992 0.212144 0.120273 0.227732 -0.024646 -0.035562 0.016148 0.138140 0.040033 0.349279 0.018239 0.009913 -0.027367 -0.144421 -0.141950 0.413728 -0.129538 0.055923 -0.177861 -0.018731 0.001898 0.009084 0.033310 0.009991 0.030082 -0.029759 -0.005129 0.008412 -0.027598 -0.001406 -0.004844 0.001611 -0.035203 0.036117 0.167629 -0.017393 0.440291 0.067987 0.060430 -0.198974 0.024218 0.013040 0.007930 0.037165 0.011892 0.041694 -0.021451 -0.018243 0.025352 -0.087705 -0.139129 -0.090479 0.012315 0.034472 0.096499 0.003685 -0.018842 -0.025045 0.016098 0.000948 0.012813 -0.007195 0.003451 0.007084 -0.001171 -0.016060 -0.011332 0.019911 0.023037 -0.013185 0.037909 -0.003266 0.093411 -0.015262 0.018417 0.004365 -0.021142 0.014494 -0.021830 0.087773 -0.086026 -0.656553 -0.123854 -0.073190 -0.130131 0.012474 0.020853 -0.006260 0.054768 -0.048098 -0.159664 -0.009231 0.008950 -0.007668 0.011352 -0.013681 0.042085 0.108506 0.074423 0.039101 -0.176665 0.075268 -0.098845 -0.000297 0.002741 0.005803 0.018807 0.019451 0.029748 -0.091820 0.022879 0.032875 0.117760 -0.363766 0.053437 0.000938 -0.036446 0.015168 -0.406708 -0.545431 0.099354 -0.024620 -0.009121 0.002653 -0.116504 0.000545 0.261270 -0.031606 0.013362 0.057424 -0.027917 0.008271 -0.010441 -0.025371 0.067788 -0.362947 -0.033482 0.002071 -0.024869 -0.012508 0.037416 0.153934 -0.178803 0.390281 -0.055570 0.048245 -0.003526 -0.003670 0.442218 -0.441094 0.590959 -0.051627 0.045131 -0.012175 0.075078 -0.001987 -0.323628 0.005566 -0.015577 -0.035087 0.001067 -0.018045 -0.032207 0.042800 0.340353 -0.233780 0.003756 -0.042849 0.049676 0.072767 -0.007050 0.186335 0.015601 0.374401 -0.012155 0.044673 0.039542 0.039498 0.276767 0.494528 0.332751 -0.003171 0.047528 0.012753 -0.541217 0.017210 -0.577562 0.008730 0.004433 -0.029501 -0.051853 0.014758 -0.010994 0.009424 -0.070783 -0.134088 0.022819 -0.023917 0.008031 0.010293 -0.014838 -0.018360 -0.035200 -0.382962 -0.066143 -0.010340 0.017084 -0.004523 -0.288116 0.432587 -0.513408 0.018795 -0.019679 -0.001682 0.430912 0.046008 -0.009443 -0.035803 0.011234 0.012982 -0.008771 -0.003755 0.005870 -0.001677 -0.374447 0.044717 0.007708 0.007035 -0.012363 0.047888 -0.029314 0.000517 0.044201 -0.011038 -0.156826 -0.057148 0.089375 0.236262 0.050290 -0.051341 0.132842 -0.012328 -0.025772 0.024644 0.212329 0.119543 0.229352 -0.016990 -0.063469 0.014646 0.138211 0.040383 0.349196 -0.024206 0.005267 -0.019324 -0.144218 -0.142091 0.413253 -0.129263 0.056193 -0.176594 -0.004060 0.008256 0.015855 0.035073 0.008937 0.021200 -0.016765 -0.010508 0.009115 -0.025284 -0.001319 -0.011963 0.005200 -0.015977 0.030626 0.165884 -0.017623 0.439728 0.066012 0.061934 -0.194198 0.022937 0.006118 -0.000284 0.034568 0.014228 0.041963 0.002409 -0.014752 0.032136 -0.087927 -0.139887 -0.088033 0.012377 0.034336 0.097226 0.008294 -0.026442 -0.031662 0.016572 0.003747 0.014146 -0.012712 0.006234 0.003191 -0.001535 -0.013271 -0.013091 0.021107 -0.011269 -0.014190 0.037304 -0.003565 0.095205 -0.029236 0.030282 0.000112 -0.031689 0.011381 -0.007915 0.087478 -0.085463 -0.656484 -0.123268 -0.070579 -0.131201 0.000338 0.019833 -0.011524 0.054038 -0.045298 -0.186259 -0.010761 0.009854 -0.018087 0.013547 -0.006655 0.033618 0.109962 0.075215 0.040844 -0.176382 0.072717 -0.100109 -0.000277 0.011267 0.005167 0.022486 0.032925 0.026625 0.007489 0.021544 0.051621 0.135315 -0.362104 0.047903 0.026983 -0.024114 0.013425 -0.405252 -0.542470 0.101056 -0.006898 0.003908 -0.012027 -0.117492 0.000100 0.262171 -0.024594 0.007673 0.062702 -0.028982 0.009902 -0.010294 -0.025661 0.067604 -0.373690 -0.031698 -0.007434 -0.004740 -0.022516 0.026622 0.147201 -0.197544 0.389610 -0.058574 0.015676 0.000341 -0.003003 0.441078 -0.449501 0.589181 -0.042502 0.036708 -0.008907 0.076535 -0.002590 -0.323462 0.012191 -0.008836 -0.040945 0.000147 -0.010669 -0.034722 0.042875 0.339940 -0.232816 -0.006754 -0.014292 0.073018 0.005913 -0.000514 0.166836 0.016637 0.373366 -0.008565 0.036557 0.036212 0.034661 0.276498 0.490147 0.334657 0.000249 0.026305 0.012202 -0.541718 0.017953 -0.577473 0.011154 0.005407 -0.022116 -0.050949 0.012747 -0.011326 0.009220 -0.070842 -0.133573 0.010433 -0.014199 0.004398 -0.001167 -0.005625 -0.012298 -0.037595 -0.380864 -0.064246 -0.005756 0.004964 0.000386 -0.287244 0.438393 -0.516285 0.020036 -0.016257 -0.003227 0.431919 0.046598 -0.008732 -0.033454 -0.005558 0.015334 -0.006586 -0.004242 0.007340 -0.001178 -0.374049 0.044735 0.010965 0.008042 -0.000115 0.031104 -0.031632 0.003098 0.025389 0.008812 -0.150799 -0.052190 0.088921 0.239300 0.052843 -0.048214 0.138099 -0.008882 -0.047826 0.037329 0.212400 0.118293 0.232379 0.002119 -0.117579 0.019161 0.137683 0.040960 0.348979 -0.112062 0.002674 -0.002856 -0.143991 -0.142553 0.412514 -0.127671 0.056030 -0.174452 0.022136 0.021307 0.029113 0.034391 0.008963 0.003331 0.003687 -0.021603 0.010259 -0.022770 -0.001056 -0.027396 0.010358 0.022014 0.019930 0.161163 -0.018328 0.439285 0.061778 0.064853 -0.184633 0.016525 -0.006914 -0.020894 0.028493 0.018338 0.042828 0.049473 -0.009555 0.046139 -0.088989 -0.141583 -0.083417 0.011441 0.033222 0.098261 0.015897 -0.041590 -0.044446 0.019289 0.008601 0.018538 -0.021000 0.009970 -0.005777 -0.002579 -0.007111 -0.017523 0.024280 -0.088128 -0.016100 0.037053 -0.003892 0.098379 -0.058019 0.054737 -0.008669 -0.056427 0.003535 0.019769 0.086609 -0.085031 -0.656518 -0.122560 -0.065164 -0.132862 -0.026880 0.018591 -0.020330 0.052817 -0.039384 -0.247043 -0.011630 0.010196 -0.036866 0.017160 0.005248 0.015942 0.111581 0.076661 0.043490 -0.176342 0.066927 -0.102355 -0.001643 0.028876 0.002106 0.029692 0.056197 0.022390 0.197561 0.018132 0.091163 0.164735 -0.359927 0.036543 0.083385 -0.001221 0.015204 -0.402866 -0.537845 0.104207 0.027410 0.027436 -0.041029 -0.120052 -0.001538 0.264167 -0.006472 -0.005960 0.070850 -0.030673 0.012477 -0.008650 -0.026371 0.066978 -0.397405 -0.026221 -0.026006 0.033568 -0.049065 0.006803 0.152813 -0.229517 0.387803 -0.063755 -0.036363 -0.003877 0.000985 0.438708 -0.467124 0.584964 -0.019265 0.010946 -0.000403 0.079060 -0.004423 -0.323005 0.032014 0.007522 -0.057271 -0.003395 0.004855 -0.038780 0.042452 0.338479 -0.231924 -0.026733 0.046208 0.140120 -0.123113 0.017255 0.100151 0.019013 0.371924 -0.001740 0.020925 0.030323 0.025690 0.275798 0.482328 0.338533 0.007133 -0.016659 0.013333 -0.542893 0.019686 -0.578025 0.012136 0.010190 -0.007864 -0.055795 0.004964 -0.013702 0.008285 -0.071146 -0.131982 -0.008725 0.007359 -0.006569 -0.020459 0.015746 -0.001261 -0.043450 -0.377241 -0.060366 0.007256 -0.016097 0.010409 -0.286293 0.450068 -0.521828 0.028377 0.004954 -0.011682 0.433311 0.047919 -0.007287 -0.032723 -0.033529 0.020518 0.001805 -0.010058 0.011155 -0.000594 -0.373103 0.044784 0.021797 0.010150 0.024202 -0.000744 -0.033165 0.016584 0.032514 0.001293 -0.150060 -0.054293 0.089232 0.238437 0.051772 -0.048984 0.136424 -0.008262 -0.040886 0.032553 0.212263 0.119028 0.231317 -0.004350 -0.094238 0.019403 0.137783 0.040911 0.349259 -0.073764 0.003388 -0.009705 -0.144143 -0.142129 0.413041 -0.128601 0.055839 -0.175109 0.012335 0.015566 0.023284 0.034640 0.007962 0.010830 -0.005135 -0.016948 0.010360 -0.022695 -0.000821 -0.020597 0.008435 0.006437 0.024007 0.163718 -0.018006 0.439486 0.063390 0.063926 -0.188196 0.018410 -0.001643 -0.012680 0.030858 0.016644 0.042711 0.029975 -0.011848 0.040077 -0.088678 -0.140613 -0.084938 0.011865 0.034091 0.098168 0.012875 -0.035408 -0.038921 0.017560 0.007176 0.017458 -0.018308 0.008644 -0.003299 -0.002463 -0.009179 -0.015725 0.023018 -0.057324 -0.014783 0.037027 -0.003301 0.097471 -0.045592 0.045594 -0.005631 -0.045404 0.007157 0.009903 0.086873 -0.085022 -0.656552 -0.122948 -0.067175 -0.132528 -0.016632 0.019489 -0.015761 0.053315 -0.041478 -0.222330 -0.012145 0.009830 -0.027840 0.016097 0.000656 0.022767 0.111228 0.076029 0.042976 -0.176472 0.069500 -0.101810 -0.001486 0.021162 0.004732 0.026719 0.047255 0.023125 0.124132 0.019385 0.075349 0.153777 -0.360258 0.040918 0.065026 -0.011483 0.013125 -0.403868 -0.535137 0.102976 0.012266 0.016723 -0.033215 -0.118578 -0.000672 0.263538 -0.017484 -0.001111 0.068327 -0.029188 0.012894 -0.008531 -0.026933 0.067453 -0.386493 -0.029083 -0.021724 0.016659 -0.038844 0.012347 0.150247 -0.217565 0.388500 -0.061794 -0.016688 -0.001716 0.001568 0.439377 -0.459453 0.587532 -0.026844 0.015193 -0.005066 0.077470 -0.003572 -0.322822 0.027744 -0.000158 -0.054088 -0.001851 -0.003134 -0.039034 0.042579 0.340177 -0.231883 -0.020411 0.024045 0.110903 -0.075403 0.010512 0.123666 0.018196 0.372396 -0.004472 0.027283 0.033079 0.029501 0.275893 0.480991 0.336907 0.004252 0.000498 0.012917 -0.542899 0.019202 -0.577316 0.013270 0.008774 -0.015104 -0.055034 0.008374 -0.013008 0.008523 -0.070886 -0.132117 -0.001631 0.002082 -0.003608 -0.011801 0.008890 -0.005165 -0.041488 -0.378454 -0.061665 0.003075 -0.007876 0.005059 -0.286452 0.445184 -0.519579 0.025804 0.002485 -0.010503 0.433102 0.047728 -0.007361 -0.034576 -0.021257 0.017044 -0.003149 -0.007025 0.011042 -0.000858 -0.374293 0.044960 0.016891 0.005090 0.014791 0.010674 -0.035601 0.014476 -0.039895 0.031953 0.144423 -0.054544 0.089098 0.237105 0.051899 -0.048403 0.136591 -0.008773 -0.028566 0.025349 0.212254 0.118680 0.231002 -0.003170 -0.061509 0.014381 0.137941 0.040663 0.348627 -0.056311 0.006525 -0.003643 -0.144072 -0.142275 0.412431 -0.129264 0.055950 -0.174993 0.012238 0.015283 0.017148 0.031014 0.004609 0.014721 -0.002773 -0.017628 0.006064 -0.014949 -0.000906 -0.016637 0.010721 0.004012 0.021453 0.165367 -0.018165 0.437919 0.064180 0.063648 -0.186975 0.012316 -0.007520 -0.015198 0.027498 0.013666 0.037349 0.022601 -0.009955 0.037450 -0.089031 -0.140997 -0.084468 0.012055 0.034580 0.097337 0.011740 -0.029142 -0.038813 0.013368 0.007068 0.017891 -0.018156 0.007933 -0.009553 -0.002486 -0.006548 -0.012141 0.019787 -0.049150 -0.013663 0.036487 -0.002836 0.097663 -0.044535 0.037162 -0.004657 -0.046639 0.006245 0.008156 0.086879 -0.085059 -0.657222 -0.122757 -0.067804 -0.133634 -0.016431 0.015426 -0.013579 0.053577 -0.041573 -0.219048 -0.003883 0.006212 -0.025800 0.018594 0.000559 0.023843 0.111835 0.075298 0.042357 -0.176205 0.069736 -0.102879 -0.003152 0.020536 0.004155 0.028230 0.038971 0.020753 0.093892 0.016184 0.070187 0.156013 -0.361029 0.040124 0.069293 -0.006667 0.019482 -0.406089 -0.535775 0.103322 0.005959 0.016045 -0.026139 -0.119032 -0.001307 0.263277 -0.011190 -0.003555 0.066670 -0.033947 0.010036 -0.008236 -0.028329 0.066948 -0.381305 -0.025763 -0.019367 0.009325 0.046662 -0.022138 -0.144444 -0.220996 0.389712 -0.063114 -0.021465 -0.009384 0.007648 0.441058 -0.460533 0.586163 -0.030760 0.006266 0.001487 0.078231 -0.004262 -0.322850 0.022297 -0.000928 -0.048389 -0.001492 -0.002119 -0.038845 0.043209 0.339218 -0.232631 -0.018126 0.021824 0.097491 -0.059665 0.010415 0.126350 0.018675 0.373203 -0.003605 0.022223 0.027803 0.026638 0.276422 0.480137 0.335958 0.005426 -0.001328 0.015053 -0.542649 0.019233 -0.577258 0.011649 0.011599 -0.010499 -0.053874 0.006583 -0.010524 0.008569 -0.070996 -0.131956 -0.001719 0.000688 -0.001472 -0.011754 -0.001985 -0.002291 -0.041448 -0.379939 -0.061265 0.002589 -0.003190 0.006005 -0.286837 0.445726 -0.518824 0.024659 0.011642 -0.004435 0.433315 0.047985 -0.007802 -0.029045 -0.019465 0.017398 -0.002425 -0.003459 0.009903 -0.000720 -0.373748 0.044650 0.018329 0.004664 0.016051 0.005300 -0.030516 0.011432 -0.092533 0.053981 0.363461 -0.053551 0.088907 0.238013 0.051492 -0.048275 0.137206 -0.006799 -0.025246 0.026172 0.212287 0.118570 0.231071 0.001784 -0.035118 0.012566 0.137843 0.040640 0.348715 -0.044844 0.006524 0.000912 -0.144008 -0.142294 0.412511 -0.129009 0.056639 -0.175036 0.013092 0.016396 0.014506 0.033829 0.002783 0.015460 -0.001905 -0.016157 0.006587 -0.016180 -0.002367 -0.016617 0.006586 0.006803 0.018577 0.162155 -0.018122 0.438690 0.064407 0.063317 -0.186377 0.013493 -0.006349 -0.015510 0.025849 0.011670 0.033546 0.017960 -0.007640 0.036192 -0.089152 -0.141380 -0.083806 0.010261 0.034390 0.096963 0.010346 -0.024350 -0.038134 0.011834 0.007337 0.017154 -0.015254 0.006937 -0.010814 -0.002509 -0.004928 -0.010667 0.016666 -0.044579 -0.014253 0.036986 -0.002887 0.098522 -0.043263 0.030932 -0.005324 -0.043464 0.004347 0.008430 0.086885 -0.084959 -0.657191 -0.122824 -0.066508 -0.133133 -0.014867 0.013569 -0.011897 0.053844 -0.041274 -0.217915 0.002312 0.004388 -0.026927 0.018518 0.001262 0.025425 0.111120 0.075115 0.043270 -0.176413 0.068399 -0.102196 -0.004606 0.020888 0.001809 0.028107 0.031130 0.020079 0.070613 0.013080 0.068604 0.155129 -0.361862 0.041057 0.053904 0.000154 0.020673 -0.407365 -0.539157 0.103946 0.004361 0.016200 -0.022548 -0.119294 -0.001320 0.263446 -0.010726 -0.005342 0.064934 -0.034709 0.005764 -0.006766 -0.026391 0.066887 -0.392155 -0.021503 -0.019436 0.017914 0.110853 -0.049714 -0.372553 -0.220626 0.390084 -0.063174 -0.016385 -0.001194 0.012646 0.442399 -0.461172 0.585435 -0.032860 0.018606 0.005329 0.078468 -0.004370 -0.322768 0.021069 -0.001498 -0.052483 -0.001645 -0.001955 -0.034030 0.042980 0.339067 -0.232942 -0.015649 0.023341 0.093343 -0.051706 0.010570 0.121712 0.018831 0.374844 -0.002191 0.017766 0.022924 0.023282 0.277025 0.483273 0.335795 0.005648 -0.003492 0.013945 -0.542894 0.019305 -0.577835 0.011948 0.012850 -0.005746 -0.051419 0.005610 -0.009498 0.008593 -0.071014 -0.132140 -0.003358 0.003600 -0.001203 -0.012597 -0.008107 0.001347 -0.041290 -0.380943 -0.060763 0.006028 -0.015712 0.004679 -0.288264 0.446171 -0.517965 0.022514 -0.003516 -0.002214 0.433547 0.048048 -0.007756 -0.025516 -0.019128 0.015108 -0.001550 -0.001377 0.009628 -0.000781 -0.373712 0.044757 0.017581 -0.001488 0.019606 0.000794 -0.027359 0.009503 -0.087714 0.051809 0.339669 -0.052521 0.088909 0.237831 0.051355 -0.047901 0.137561 -0.005876 -0.021487 0.024165 0.212319 0.118579 0.230778 0.002475 -0.019129 0.009052 0.137989 0.040598 0.348466 -0.033519 0.006745 0.003315 -0.143906 -0.142260 0.412219 -0.129308 0.056746 -0.174627 0.012470 0.016039 0.011509 0.031288 0.000948 0.018675 -0.000588 -0.016207 0.004184 -0.012446 -0.001944 -0.014614 0.007051 0.004716 0.016848 0.162550 -0.018111 0.438601 0.065040 0.063324 -0.185611 0.010737 -0.008521 -0.015837 0.023981 0.009774 0.030411 0.013257 -0.006234 0.034316 -0.089264 -0.141408 -0.083245 0.009748 0.034706 0.096908 0.009050 -0.019896 -0.036781 0.009770 0.007227 0.017531 -0.014900 0.006675 -0.014258 -0.002574 -0.004009 -0.007717 0.014810 -0.037398 -0.012595 0.036967 -0.002432 0.098547 -0.041816 0.026302 -0.006059 -0.043168 0.005024 0.008180 0.086935 -0.084893 -0.657542 -0.122702 -0.065850 -0.133895 -0.014011 0.012528 -0.010019 0.054182 -0.041254 -0.214851 0.006658 0.002459 -0.024762 0.019814 0.000616 0.026804 0.111416 0.074864 0.043223 -0.176185 0.067754 -0.102851 -0.005466 0.019827 0.002468 0.027713 0.026581 0.019563 0.056810 0.012007 0.063569 0.154104 -0.361079 0.040862 0.055562 0.003406 0.023222 -0.407992 -0.540055 0.104238 0.001101 0.014423 -0.021114 -0.119121 -0.001483 0.263013 -0.012020 -0.007210 0.062041 -0.035616 0.005644 -0.004519 -0.026924 0.066793 -0.391779 -0.020150 -0.021226 0.015449 0.110323 -0.050662 -0.358129 -0.220102 0.390306 -0.063712 -0.020974 -0.007095 0.014991 0.442945 -0.461329 0.585378 -0.035018 0.011950 0.007795 0.078562 -0.004264 -0.322539 0.020524 -0.003077 -0.051230 -0.000994 -0.003087 -0.035210 0.042758 0.338973 -0.233566 -0.013009 0.022163 0.089250 -0.042341 0.011270 0.126591 0.018775 0.374492 -0.001070 0.015444 0.020770 0.022729 0.276369 0.483661 0.334633 0.006402 -0.003794 0.013516 -0.542790 0.019465 -0.576945 0.010667 0.015791 -0.004288 -0.048731 0.002922 -0.007917 0.008751 -0.070994 -0.132169 -0.003288 0.006989 -0.001085 -0.013983 -0.011478 0.004222 -0.040852 -0.381515 -0.060141 0.007255 -0.011551 0.004031 -0.287560 0.446392 -0.517223 0.021275 0.001699 -0.000284 0.433649 0.047964 -0.007977 -0.023678 -0.017824 0.014211 -0.002369 0.000870 0.010452 -0.000707 -0.373668 0.044618 0.016573 -0.005131 0.020423 -0.001243 -0.025245 0.010102 -0.073148 0.045263 0.268513 -0.051550 0.088929 0.238548 0.051552 -0.046805 0.139275 -0.003375 -0.012858 0.019311 0.212195 0.118424 0.230961 0.003042 0.024933 0.000243 0.138022 0.040553 0.348498 -0.001351 0.012504 0.011863 -0.144034 -0.142127 0.412318 -0.130888 0.057266 -0.173455 0.010806 0.016373 0.003365 0.029469 -0.005422 0.028306 -0.000732 -0.014748 0.000511 -0.006422 -0.002707 -0.007283 0.004840 0.001214 0.012744 0.161069 -0.017905 0.438355 0.066428 0.062725 -0.183348 0.005927 -0.011433 -0.015262 0.019372 0.005093 0.022035 -0.000499 -0.002376 0.029228 -0.089958 -0.141712 -0.081299 0.007615 0.035709 0.096773 0.005472 -0.007288 -0.033302 0.002896 0.007585 0.019174 -0.015278 0.004814 -0.020989 -0.002864 -0.000659 0.000138 0.009012 -0.016998 -0.010045 0.036134 -0.001303 0.100358 -0.036139 0.011634 -0.006951 -0.039264 0.004507 0.009354 0.086798 -0.084421 -0.657663 -0.122796 -0.064580 -0.134692 -0.011131 0.008530 -0.004182 0.054720 -0.040913 -0.205107 0.020815 -0.000881 -0.019320 0.021891 -0.000379 0.030249 0.111654 0.073912 0.043912 -0.176319 0.066752 -0.103297 -0.008125 0.015979 0.001944 0.026946 0.013061 0.020504 0.010583 0.006665 0.049498 0.154495 -0.361868 0.042855 0.038479 0.016470 0.024905 -0.412124 -0.538034 0.105856 -0.006483 0.005186 -0.018937 -0.119712 -0.001516 0.262798 -0.014739 -0.010332 0.044984 -0.035749 0.002257 0.003604 -0.026687 0.066568 -0.399366 -0.011065 -0.021969 0.015004 0.101574 -0.052112 -0.287425 -0.221946 0.392259 -0.064134 -0.020931 -0.007222 0.019988 0.446084 -0.460978 0.585155 -0.033961 0.007355 0.016763 0.079185 -0.004138 -0.321802 0.017287 -0.005083 -0.043503 0.001481 -0.009914 -0.030305 0.042235 0.338586 -0.233964 -0.003021 0.020667 0.069523 -0.008369 0.009753 0.107324 0.018505 0.377122 0.003181 0.004719 0.005610 0.015948 0.277222 0.480405 0.333316 0.006839 -0.000773 0.009047 -0.543216 0.019680 -0.576837 0.012117 0.020420 0.003522 -0.033836 -0.004210 -0.003823 0.008854 -0.070795 -0.131918 -0.002948 0.014461 -0.001532 -0.015335 -0.020213 0.012900 -0.039589 -0.384291 -0.057864 0.012411 -0.016275 -0.000100 -0.289552 0.446456 -0.514016 0.014339 0.004464 0.002344 0.434109 0.048148 -0.007776 -0.013849 -0.012842 0.007700 -0.003092 0.011871 0.009800 -0.000958 -0.373166 0.045091 0.010915 -0.021254 0.022364 -0.007070 -0.017668 0.009550 -0.045300 0.033472 0.126293 -0.049900 0.088682 0.238531 0.051244 -0.044625 0.141449 -0.001457 0.014363 0.010478 0.212174 0.117955 0.230465 0.010949 0.124923 -0.017569 0.138212 0.040103 0.347794 0.062343 0.021719 0.029964 -0.143859 -0.142225 0.411810 -0.133129 0.057716 -0.172646 0.008213 0.018134 -0.014953 0.022390 -0.019357 0.046186 0.003979 -0.013279 -0.007790 0.008280 -0.004311 0.007610 0.002817 -0.008406 0.003657 0.160612 -0.018041 0.436595 0.069540 0.061401 -0.179585 -0.003443 -0.019253 -0.015835 0.011682 -0.006426 0.003013 -0.028711 0.007126 0.015902 -0.091114 -0.142591 -0.078251 0.004302 0.037579 0.095640 -0.001535 0.019580 -0.026794 -0.009168 0.007806 0.021910 -0.014160 0.002051 -0.035338 -0.003439 0.006075 0.014878 -0.003664 0.024021 -0.004689 0.035142 0.000883 0.102953 -0.025994 -0.018263 -0.009567 -0.033936 0.000921 0.009837 0.086739 -0.084015 -0.658976 -0.122682 -0.062990 -0.137356 -0.004547 -0.000562 0.006422 0.056134 -0.040719 -0.186974 0.048303 -0.011562 -0.007733 0.026274 -0.004611 0.035384 0.112529 0.071566 0.044552 -0.176248 0.064961 -0.105341 -0.013170 0.010191 0.001221 0.026097 -0.016020 0.019059 -0.080752 -0.002725 0.021616 0.155916 -0.363188 0.045430 0.020523 0.038119 0.033344 -0.419728 -0.532436 0.108051 -0.022555 -0.010517 -0.012612 -0.119661 -0.002153 0.261672 -0.016047 -0.012997 0.020871 -0.033346 -0.004297 0.012468 -0.027589 0.065816 -0.405082 0.004447 -0.022869 0.006903 0.085772 -0.053495 -0.156001 -0.225962 0.395439 -0.065819 -0.028975 -0.012734 0.031469 0.451746 -0.461048 0.583898 -0.039249 -0.008247 0.035672 0.079679 -0.004493 -0.320804 0.011548 -0.006977 -0.034401 0.005240 -0.021171 -0.023912 0.041950 0.338495 -0.235679 0.010716 0.014758 0.031336 0.050669 0.009048 0.103379 0.018826 0.381016 0.009377 -0.014990 -0.017590 0.003438 0.278823 0.471271 0.329658 0.006397 0.001579 0.004103 -0.543738 0.019834 -0.576907 0.013658 0.028660 0.016057 -0.017100 -0.016185 0.004589 0.009188 -0.070878 -0.131498 -0.002292 0.025797 0.000059 -0.015595 -0.041053 0.029041 -0.037764 -0.389628 -0.054548 0.021054 -0.021134 -0.003785 -0.292265 0.446408 -0.508963 0.001069 0.014740 0.014722 0.435244 0.048312 -0.008078 0.004157 -0.005903 -0.003646 -0.004483 0.032139 0.010041 -0.001067 -0.373582 0.045113 0.004984 -0.048497 0.029959 -0.020949 -0.001607 0.007265 -0.033540 0.029138 0.065219 -0.049554 0.088790 0.238959 0.051358 -0.043210 0.142237 0.000967 0.024813 0.004974 0.212283 0.118059 0.230226 0.012036 0.165964 -0.024532 0.138350 0.040161 0.347448 0.093026 0.025165 0.038477 -0.143777 -0.142011 0.411681 -0.134206 0.057892 -0.172436 0.006552 0.019305 -0.022139 0.020615 -0.022423 0.053408 0.006711 -0.012728 -0.011426 0.013729 -0.004938 0.013666 0.002493 -0.011799 0.000633 0.160073 -0.017832 0.435672 0.070881 0.060890 -0.178080 -0.008259 -0.022808 -0.016548 0.008175 -0.011298 -0.005198 -0.040966 0.010699 0.010586 -0.091555 -0.142833 -0.076975 0.002658 0.038611 0.094891 -0.004257 0.031423 -0.024120 -0.015077 0.007826 0.023044 -0.012968 0.001102 -0.041250 -0.003723 0.008739 0.021065 -0.008884 0.042264 -0.002352 0.034686 0.002228 0.103854 -0.020558 -0.031116 -0.010719 -0.031780 -0.000378 0.010035 0.086826 -0.083720 -0.659455 -0.122635 -0.062325 -0.138500 -0.001800 -0.004811 0.011108 0.056884 -0.040389 -0.179401 0.059190 -0.015255 -0.002928 0.027774 -0.005286 0.037992 0.113028 0.070516 0.044690 -0.176235 0.064610 -0.106276 -0.014303 0.007951 0.000582 0.025277 -0.025905 0.017269 -0.120760 -0.006779 0.006580 0.157374 -0.363207 0.045416 0.011283 0.047685 0.036254 -0.422960 -0.526475 0.108533 -0.030193 -0.017458 -0.010006 -0.119836 -0.002351 0.261518 -0.018960 -0.014639 0.012216 -0.036280 -0.007650 0.015219 -0.027398 0.065704 -0.409670 0.012510 -0.024208 0.007045 0.080155 -0.052911 -0.098366 -0.227822 0.396673 -0.066644 -0.030234 -0.014181 0.038782 0.454189 -0.460663 0.583029 -0.041417 -0.014161 0.043459 0.080185 -0.004752 -0.320422 0.009300 -0.009005 -0.031286 0.006407 -0.025184 -0.020474 0.041977 0.338271 -0.236399 0.016339 0.011310 0.015739 0.073896 0.004850 0.095372 0.019625 0.382477 0.011109 -0.019877 -0.026177 0.001857 0.279074 0.464258 0.327611 0.008071 0.001588 0.005176 -0.543912 0.020233 -0.576758 0.013163 0.032409 0.021526 -0.013619 -0.020033 0.009754 0.009315 -0.070625 -0.130974 -0.001556 0.030517 -0.001074 -0.017855 -0.050528 0.038033 -0.037533 -0.391363 -0.053646 0.024499 -0.024764 -0.006758 -0.292837 0.446401 -0.507288 -0.000686 0.013462 0.021532 0.435747 0.048872 -0.008280 0.011266 -0.002360 -0.007419 -0.004784 0.040269 0.010318 -0.001016 -0.373158 0.045063 0.003325 -0.060503 0.031966 -0.027657 0.003071 0.006972 -0.003048 0.017927 -0.078168 -0.047942 0.088629 0.239330 0.049598 -0.045198 0.142570 0.000903 0.021059 0.004799 0.212261 0.117771 0.230310 0.012511 0.123322 -0.025925 0.138223 0.040144 0.347483 0.064673 0.019452 0.035843 -0.143570 -0.142061 0.411596 -0.132290 0.060132 -0.171315 0.006560 0.013591 -0.014475 0.016978 -0.016875 0.046199 0.008817 -0.011754 -0.010389 0.008373 -0.003495 0.007721 -0.000661 -0.006882 0.000891 0.156987 -0.017769 0.437928 0.071632 0.060595 -0.175575 -0.004666 -0.015237 -0.013015 0.004068 -0.009940 -0.004910 -0.032275 0.009844 0.008286 -0.091741 -0.143011 -0.076757 0.001550 0.037523 0.096898 -0.002728 0.025030 -0.020938 -0.011882 0.008267 0.020785 -0.017542 0.002294 -0.039129 -0.003851 0.006426 0.020110 -0.007246 0.031856 0.001016 0.036357 0.000665 0.105991 -0.019418 -0.023898 -0.012325 -0.025674 -0.001487 0.014317 0.086824 -0.083518 -0.659543 -0.122530 -0.060625 -0.136680 -0.002071 -0.003286 0.006540 0.057297 -0.039841 -0.178140 0.048911 -0.011711 -0.000619 0.025841 -0.003025 0.030364 0.110692 0.071667 0.044549 -0.176305 0.062916 -0.104326 -0.008781 0.011427 -0.000290 0.021432 -0.019188 0.018930 -0.081387 -0.005603 0.010524 0.150558 -0.364211 0.048904 0.001775 0.047586 0.035558 -0.423330 -0.542503 0.109277 -0.023731 -0.018546 -0.008845 -0.119690 -0.002511 0.261678 -0.020231 -0.012125 0.012116 -0.030926 -0.005639 0.015161 -0.025512 0.065744 -0.417202 0.011231 -0.024463 0.015012 0.035944 -0.038090 0.044418 -0.221716 0.397015 -0.066425 -0.021322 -0.017386 0.038131 0.455127 -0.460689 0.583616 -0.029749 -0.001783 0.042412 0.080001 -0.004878 -0.320037 0.009717 -0.007996 -0.029442 0.006635 -0.023208 -0.021636 0.042000 0.338166 -0.237290 0.019655 0.014444 0.012302 0.056108 0.006343 0.083906 0.019540 0.383751 0.011774 -0.020027 -0.026369 0.001865 0.279068 0.481069 0.328126 0.008535 0.001213 0.004740 -0.543793 0.020533 -0.577695 0.013155 0.029585 0.021161 -0.010547 -0.021755 0.010541 0.009406 -0.070473 -0.131247 -0.000706 0.032531 -0.001622 -0.018856 -0.032620 0.036564 -0.037250 -0.392219 -0.053238 0.024316 -0.017524 -0.008476 -0.293383 0.446439 -0.506736 -0.002861 0.000684 0.022800 0.435695 0.048993 -0.008290 0.009154 -0.003254 -0.007328 -0.004951 0.034596 0.010594 -0.001067 -0.373074 0.045130 0.002112 -0.057272 0.029958 -0.024962 0.003758 0.009307 0.054122 -0.002994 -0.343462 -0.048788 0.088482 0.239261 0.049872 -0.045278 0.142341 -0.000288 0.009232 0.007692 0.212278 0.117484 0.230314 0.017223 0.049051 -0.028925 0.138326 0.039875 0.347331 0.008929 0.013980 0.026443 -0.143468 -0.142165 0.411617 -0.132244 0.060046 -0.170361 0.006615 0.008055 -0.001877 0.005087 -0.008540 0.034416 0.013221 -0.009572 -0.005793 0.008339 -0.002242 0.008126 0.001468 -0.004780 0.001088 0.159215 -0.017864 0.437049 0.072961 0.060669 -0.170304 -0.005277 -0.008684 -0.006685 -0.004810 -0.006214 -0.003270 -0.018191 0.007787 0.003173 -0.091978 -0.142179 -0.076374 0.001581 0.038186 0.098851 0.003324 0.016009 -0.015655 -0.009435 0.008618 0.020525 -0.027989 0.004435 -0.038121 -0.003642 0.003261 0.021828 -0.003768 0.014162 0.010167 0.035326 0.000633 0.107080 -0.015509 -0.011643 -0.014074 -0.021411 -0.005003 0.020348 0.086895 -0.083487 -0.659812 -0.122461 -0.061741 -0.137296 -0.002915 -0.003187 0.002616 0.058132 -0.039002 -0.175575 0.030047 -0.004523 0.001285 0.021879 0.000360 0.018173 0.110627 0.070972 0.043540 -0.176144 0.063842 -0.105273 0.002146 0.015295 0.001870 0.014453 -0.005755 0.018657 -0.004066 -0.004722 0.016692 0.150952 -0.363117 0.049106 0.011278 0.036596 0.035983 -0.426710 -0.533451 0.108673 -0.003613 -0.017857 -0.001366 -0.119885 -0.002793 0.261722 -0.018415 -0.008889 0.010227 -0.017384 0.001626 0.015708 -0.027081 0.065717 -0.411442 0.010657 -0.020408 0.011727 -0.050969 -0.003198 0.321842 -0.221040 0.398461 -0.065679 -0.023437 -0.014415 0.034503 0.456980 -0.459697 0.583159 -0.007602 -0.006017 0.041986 0.080314 -0.004984 -0.319747 0.009841 -0.004738 -0.018619 0.002866 -0.014618 -0.021087 0.042160 0.338448 -0.237632 0.018235 0.019605 0.003782 0.013937 0.010247 0.055174 0.019789 0.383121 0.011751 -0.015604 -0.023342 0.005674 0.278563 0.471016 0.329748 0.009427 -0.000244 0.002654 -0.544121 0.020595 -0.575689 0.010676 0.020685 0.014580 -0.004127 -0.022840 0.011381 0.009465 -0.070579 -0.130815 0.000785 0.031967 -0.000760 -0.018533 0.004375 0.030009 -0.036673 -0.394478 -0.053433 0.018287 -0.010768 -0.012246 -0.291796 0.444607 -0.506562 -0.007560 0.003772 0.023077 0.435945 0.049018 -0.008200 0.002080 -0.007775 -0.007915 -0.008460 0.018301 0.011928 -0.001030 -0.373418 0.045373 -0.000782 -0.045939 0.018170 -0.017096 0.004550 0.015628 0.038597 0.002582 -0.278423 -0.048657 0.088760 0.239343 0.050548 -0.044430 0.142333 -0.000872 0.005979 0.007995 0.212435 0.117666 0.230234 0.015415 0.019599 -0.025232 0.138303 0.039970 0.347236 -0.007763 0.008441 0.021983 -0.143345 -0.142189 0.411732 -0.132668 0.059577 -0.169221 0.007073 0.006687 0.002913 0.002253 -0.007105 0.027966 0.014075 -0.007646 -0.002860 0.006620 -0.002229 0.009118 0.000773 -0.002128 0.000800 0.159155 -0.017730 0.435254 0.073474 0.060286 -0.168922 -0.004194 -0.005533 -0.005347 -0.007020 -0.005527 -0.002473 -0.013493 0.007386 0.002024 -0.092049 -0.142201 -0.076128 0.001295 0.038408 0.099697 0.005167 0.012460 -0.013912 -0.007694 0.008287 0.019899 -0.030611 0.004690 -0.037563 -0.003269 0.002023 0.021506 -0.002716 0.006823 0.012470 0.034815 0.001388 0.108928 -0.014595 -0.007329 -0.014023 -0.019096 -0.006152 0.021977 0.086913 -0.083561 -0.660000 -0.122403 -0.061518 -0.138091 -0.003192 -0.002524 0.001802 0.058622 -0.038751 -0.174764 0.022825 -0.000362 -0.000098 0.019455 0.001851 0.014192 0.110853 0.070017 0.043381 -0.176385 0.063807 -0.106077 0.006404 0.016750 0.001756 0.011341 -0.001448 0.019183 0.017234 -0.004438 0.019693 0.157396 -0.364773 0.046374 0.010593 0.035734 0.038133 -0.427583 -0.526648 0.108171 0.004038 -0.017117 0.000370 -0.120144 -0.002570 0.261331 -0.020638 -0.010497 0.009089 -0.012631 0.004333 0.015400 -0.026986 0.065781 -0.413612 0.011709 -0.020960 0.014548 -0.041377 -0.002248 0.267135 -0.226873 0.398741 -0.065313 -0.022072 -0.007833 0.033502 0.457704 -0.458949 0.583805 -0.000094 -0.003249 0.039834 0.080635 -0.004906 -0.319824 0.010263 -0.003959 -0.018151 0.003022 -0.011052 -0.018518 0.041965 0.338394 -0.237348 0.016642 0.020638 0.001669 0.003088 0.008755 0.050736 0.019954 0.385016 0.011317 -0.014542 -0.022485 0.006463 0.280034 0.464460 0.330605 0.009252 -0.000114 0.002453 -0.544001 0.020594 -0.578887 0.009180 0.020455 0.014575 -0.003182 -0.022904 0.011295 0.009562 -0.070364 -0.130966 0.002061 0.031365 -0.001085 -0.017287 0.015818 0.026811 -0.036478 -0.394905 -0.053880 0.017090 -0.013193 -0.012854 -0.293093 0.443989 -0.506867 -0.009166 -0.000014 0.022078 0.436122 0.049119 -0.008455 -0.000093 -0.008982 -0.008570 -0.009527 0.013820 0.011831 -0.001077 -0.373025 0.045212 -0.001778 -0.041066 0.013837 -0.015314 0.004165 0.017474 -0.011197 0.020466 -0.074053 -0.048490 0.088459 0.239177 0.049907 -0.045292 0.142146 -0.003212 -0.004379 0.013529 0.212334 0.117431 0.230118 0.011573 -0.056148 -0.016735 0.138264 0.039891 0.347100 -0.058185 0.001129 0.012284 -0.143265 -0.142131 0.411588 -0.132136 0.060488 -0.167570 0.007108 0.000651 0.017606 -0.010357 0.002842 0.011956 0.017270 -0.006086 0.001947 0.005801 0.000038 0.005125 0.001787 0.003086 0.001261 0.160109 -0.017695 0.435715 0.074727 0.060365 -0.163538 -0.003981 0.004307 0.004103 -0.015618 -0.000992 0.000607 0.003624 0.004303 -0.001544 -0.092286 -0.141408 -0.075453 0.000214 0.038700 0.102898 0.011729 -0.000968 -0.008562 -0.003135 0.008739 0.018978 -0.041041 0.006243 -0.034503 -0.002763 -0.002181 0.020428 0.001759 -0.013920 0.021005 0.034523 0.000379 0.110746 -0.010547 0.008372 -0.014940 -0.013963 -0.008835 0.027532 0.086924 -0.083399 -0.660073 -0.122430 -0.061912 -0.138127 -0.004499 -0.002210 -0.003507 0.059547 -0.037914 -0.172451 0.002554 0.007772 0.001312 0.014534 0.004131 0.000401 0.109968 0.070028 0.042145 -0.176349 0.064190 -0.106428 0.017196 0.021531 0.003405 0.004352 0.014497 0.021463 0.084221 -0.001805 0.029528 0.152692 -0.364072 0.049216 0.019840 0.019306 0.034515 -0.431312 -0.520851 0.107571 0.021325 -0.013185 0.008069 -0.120579 -0.002899 0.261462 -0.020148 -0.003519 0.007854 -0.000135 0.010483 0.011649 -0.027923 0.065871 -0.411210 0.008677 -0.019734 0.018358 -0.006591 -0.004305 0.064932 -0.220991 0.399941 -0.064247 -0.025471 -0.006461 0.030967 0.459743 -0.458009 0.584659 0.020931 -0.007605 0.035017 0.080940 -0.004924 -0.319356 0.012873 0.000131 -0.008364 0.002786 0.003059 -0.020143 0.041637 0.338291 -0.238310 0.015600 0.024031 -0.005077 -0.040170 0.010967 0.022249 0.019926 0.385159 0.011315 -0.008047 -0.016210 0.011238 0.279401 0.458386 0.332892 0.010352 -0.001539 0.002637 -0.544396 0.021019 -0.576798 0.005829 0.006152 0.008359 0.001323 -0.020691 0.012098 0.009627 -0.070214 -0.130566 0.005088 0.026570 -0.001200 -0.014734 0.045504 0.016125 -0.035710 -0.397367 -0.054119 0.009234 -0.000409 -0.014240 -0.291657 0.442357 -0.506823 -0.012938 -0.000560 0.018148 0.436215 0.049288 -0.008334 -0.008074 -0.014874 -0.007371 -0.010657 -0.008388 0.010532 -0.001212 -0.372850 0.045598 -0.003876 -0.021901 0.000743 -0.005989 0.003286 0.023338 -0.027475 0.026556 -0.007335 -0.047009 0.088406 0.239968 0.048274 -0.047716 0.142139 -0.003583 -0.007611 0.014359 0.212503 0.117170 0.230069 0.010466 -0.085670 -0.013256 0.138371 0.039833 0.346958 -0.074526 -0.006252 0.008970 -0.142974 -0.142200 0.411369 -0.130167 0.063125 -0.166818 0.007070 -0.001586 0.022438 -0.013216 0.005986 0.004213 0.017996 -0.004999 0.002777 -0.000336 0.000586 -0.002056 -0.002807 0.008547 0.001505 0.156506 -0.017624 0.438072 0.075393 0.060233 -0.162281 0.001273 0.011911 0.006362 -0.017612 0.000245 0.000631 0.009094 0.003970 -0.002356 -0.092209 -0.141684 -0.075465 -0.000332 0.037645 0.104301 0.012287 -0.006494 -0.007253 0.000575 0.008670 0.015740 -0.042290 0.006707 -0.031805 -0.002341 -0.004669 0.017864 0.003222 -0.021903 0.021787 0.036476 -0.001469 0.112202 -0.010108 0.012812 -0.014812 -0.007957 -0.009393 0.030006 0.087129 -0.083179 -0.660197 -0.122213 -0.060099 -0.136160 -0.004749 -0.000516 -0.007459 0.060068 -0.037587 -0.172156 -0.004429 0.010111 0.001847 0.012008 0.005668 -0.004424 0.107754 0.071449 0.041863 -0.176235 0.062413 -0.104157 0.021773 0.023395 0.001558 0.001902 0.019215 0.024384 0.104947 -0.001297 0.034399 0.145910 -0.364605 0.049718 0.003873 0.017083 0.035010 -0.430818 -0.541741 0.107951 0.025884 -0.012060 0.010837 -0.120299 -0.003012 0.261360 -0.019744 -0.002866 0.007994 0.002278 0.013266 0.012311 -0.025472 0.066027 -0.420540 0.007494 -0.018518 0.029267 0.005312 -0.003670 -0.000521 -0.214662 0.400449 -0.064225 -0.010262 -0.006933 0.030890 0.460592 -0.458390 0.584807 0.025995 0.011738 0.032390 0.081003 -0.005108 -0.319390 0.013254 0.000318 -0.006417 0.002599 0.006531 -0.020459 0.042166 0.338306 -0.239012 0.015717 0.025294 -0.005394 -0.052424 0.010434 0.015468 0.019595 0.385814 0.011489 -0.007438 -0.014724 0.011852 0.279258 0.480442 0.333289 0.010372 -0.001701 0.002447 -0.544212 0.021272 -0.577928 0.004856 0.003152 0.006754 0.001683 -0.021006 0.012643 0.009797 -0.070191 -0.131364 0.005791 0.026189 -0.000743 -0.013604 0.055665 0.012811 -0.034966 -0.398147 -0.054058 0.009063 0.003014 -0.014481 -0.291868 0.442643 -0.506404 -0.014093 -0.020596 0.017967 0.436428 0.049500 -0.008532 -0.010556 -0.015815 -0.007100 -0.012359 -0.013999 0.013017 -0.001017 -0.372925 0.045597 -0.004879 -0.017096 -0.000812 -0.002773 0.003258 0.023719 -0.031825 0.027195 0.010783 -0.048215 0.088365 0.239070 0.049507 -0.046127 0.142378 -0.004806 -0.005866 0.013815 0.212394 0.117332 0.230163 0.009128 -0.073265 -0.010436 0.138366 0.039730 0.347128 -0.064022 -0.005090 0.005155 -0.143151 -0.142284 0.411553 -0.132111 0.061329 -0.166229 0.005870 -0.001404 0.020326 -0.012616 0.004051 0.007633 0.015992 -0.004359 0.003381 0.004779 0.000306 0.004543 0.000863 0.004054 0.002453 0.159790 -0.017765 0.435566 0.075279 0.060378 -0.162322 -0.002667 0.008582 0.007669 -0.015903 0.000988 0.001275 0.007086 0.003277 -0.001666 -0.092188 -0.141573 -0.074624 -0.000025 0.038675 0.104844 0.012304 -0.004979 -0.006947 -0.000408 0.007840 0.017815 -0.041310 0.005276 -0.032239 -0.001919 -0.003022 0.018320 0.002866 -0.018736 0.021924 0.034996 -0.000318 0.112113 -0.008676 0.011370 -0.013832 -0.011957 -0.008350 0.027999 0.086979 -0.083486 -0.659942 -0.122303 -0.061692 -0.137832 -0.005198 -0.001959 -0.003980 0.060053 -0.038019 -0.170956 -0.004139 0.008806 0.001724 0.010171 0.004714 -0.002965 0.109599 0.069875 0.041763 -0.176313 0.063804 -0.105885 0.019398 0.020532 0.002924 0.001258 0.017777 0.023179 0.093484 -0.000235 0.030968 0.153364 -0.364664 0.049322 0.015713 0.012697 0.033050 -0.432352 -0.525227 0.107591 0.023299 -0.011486 0.011407 -0.120467 -0.003264 0.261492 -0.019513 -0.002177 0.006138 0.005154 0.013222 0.012116 -0.027745 0.065831 -0.412145 0.004386 -0.017192 0.020857 0.012135 -0.006137 -0.022265 -0.221562 0.400668 -0.063624 -0.020037 -0.002427 0.026938 0.460860 -0.458204 0.585233 0.025046 -0.002518 0.033523 0.081019 -0.005315 -0.319207 0.013897 0.001286 -0.003308 0.002521 0.006772 -0.017654 0.042009 0.338354 -0.238222 0.014735 0.022906 -0.007063 -0.048074 0.010771 0.015045 0.019737 0.385659 0.011663 -0.005742 -0.013443 0.011968 0.279489 0.462989 0.334622 0.009007 -0.000839 0.002358 -0.544424 0.021264 -0.577457 0.005941 0.000367 0.004908 0.003815 -0.018031 0.011853 0.009712 -0.070217 -0.130542 0.007158 0.025015 -0.000354 -0.012128 0.053608 0.010040 -0.035103 -0.398582 -0.054150 0.006570 0.001637 -0.013108 -0.291640 0.442102 -0.506523 -0.014468 -0.005951 0.015859 0.436489 0.049529 -0.008311 -0.010515 -0.015766 -0.006814 -0.012855 -0.014259 0.011995 -0.001120 -0.373055 0.045699 -0.004383 -0.014685 -0.004664 -0.000341 0.003028 0.025118 -0.044915 0.029698 0.066264 -0.047566 0.088314 0.238930 0.048958 -0.047023 0.142484 -0.006738 -0.001010 0.013315 0.212558 0.117371 0.229801 0.002720 -0.044857 -0.005794 0.138574 0.039705 0.346806 -0.032108 -0.006496 0.002627 -0.143090 -0.142317 0.411070 -0.133094 0.062805 -0.165431 0.003695 -0.001774 0.013615 -0.009942 -0.000211 0.012467 0.009715 -0.003096 0.000390 0.007653 0.000862 0.005100 0.001770 -0.000844 0.004426 0.159719 -0.017715 0.435463 0.075499 0.061026 -0.164108 -0.003255 0.008668 0.010538 -0.009379 0.003090 0.000969 0.003385 0.001427 0.000879 -0.091856 -0.141823 -0.073310 -0.000947 0.039190 0.106786 0.009904 -0.004620 -0.005337 0.001079 0.006234 0.016329 -0.035758 0.002740 -0.029268 -0.000645 -0.001556 0.013560 0.002509 -0.011650 0.018384 0.035880 -0.001369 0.111918 -0.003442 0.008530 -0.011306 -0.011776 -0.006605 0.023115 0.087082 -0.083398 -0.659657 -0.122185 -0.061265 -0.138221 -0.006195 -0.002663 -0.000975 0.060892 -0.038657 -0.169183 -0.004715 0.004488 0.001910 0.004270 0.001970 -0.001566 0.110113 0.069986 0.041215 -0.176294 0.063456 -0.105768 0.011087 0.015691 0.002828 -0.000051 0.012971 0.024209 0.054791 0.001641 0.025020 0.153020 -0.364569 0.050478 0.013871 0.010006 0.033956 -0.433162 -0.527608 0.107383 0.012322 -0.012335 0.007371 -0.120242 -0.003470 0.261425 -0.022608 -0.001350 0.009282 0.005060 0.010839 0.010156 -0.027698 0.065835 -0.412712 0.000213 -0.017203 0.021339 0.034285 -0.014331 -0.084954 -0.220830 0.400923 -0.063687 -0.016145 -0.004600 0.025594 0.461645 -0.458695 0.585235 0.015164 -0.000292 0.033373 0.081144 -0.005457 -0.319169 0.017568 0.002128 -0.000982 0.004530 0.003776 -0.020967 0.042131 0.338378 -0.238445 0.015811 0.020290 -0.005142 -0.029617 0.008724 0.025360 0.019401 0.385611 0.012074 -0.006333 -0.015678 0.013419 0.278800 0.465534 0.336857 0.007209 0.002763 0.004116 -0.544447 0.021570 -0.577476 0.011318 0.001768 0.003497 0.002444 -0.012278 0.011388 0.009778 -0.070062 -0.130524 0.006540 0.023975 0.001110 -0.009283 0.042393 0.007773 -0.034322 -0.399430 -0.054230 0.009023 0.004913 -0.012226 -0.290925 0.442380 -0.506544 -0.014444 -0.007369 0.015467 0.436784 0.049759 -0.008436 -0.009103 -0.014550 -0.006352 -0.014638 -0.008229 0.009592 -0.000968 -0.373070 0.045692 -0.004663 -0.014656 -0.004149 0.003463 0.002753 0.023567 -0.072887 0.035533 0.180458 -0.046087 0.088111 0.240412 0.048618 -0.047748 0.143785 -0.010817 0.007684 0.017762 0.212432 0.117329 0.230255 -0.004751 0.006575 0.013557 0.138523 0.039590 0.347362 0.031813 -0.001698 -0.005133 -0.143382 -0.142377 0.411164 -0.136117 0.064574 -0.162545 -0.003314 -0.003160 0.004313 -0.003699 -0.008480 0.020806 -0.001771 -0.001896 -0.002315 0.012432 0.000799 0.009778 0.002933 -0.010390 0.009376 0.158210 -0.017668 0.435803 0.075344 0.062412 -0.166282 -0.004156 0.009978 0.017332 0.003343 0.007376 0.001589 -0.004556 -0.002608 0.007419 -0.091490 -0.142222 -0.069363 -0.003965 0.040416 0.112338 0.005600 -0.003374 -0.002788 0.004115 0.002178 0.015214 -0.024463 -0.003529 -0.019862 0.001766 0.001160 0.006456 0.000408 0.002505 0.012970 0.036211 -0.002682 0.112476 0.006563 0.003247 -0.004656 -0.012330 -0.002886 0.013495 0.086780 -0.083148 -0.657979 -0.122394 -0.060068 -0.138578 -0.007772 -0.003731 0.007290 0.061575 -0.040147 -0.164613 -0.004470 -0.004345 0.003499 -0.007003 -0.002825 0.004338 0.111341 0.069758 0.041328 -0.176521 0.062324 -0.105448 -0.006427 0.005377 0.003630 -0.003419 0.003428 0.026971 -0.024226 0.004724 0.013514 0.156576 -0.363888 0.049161 0.004351 -0.007705 0.024603 -0.436005 -0.521059 0.107370 -0.016772 -0.009580 0.004552 -0.120129 -0.003713 0.261432 -0.024122 0.001031 0.008860 0.005515 0.002388 0.002500 -0.027580 0.065867 -0.420400 -0.011091 -0.008639 0.013885 0.076503 -0.029381 -0.215752 -0.222789 0.400950 -0.062733 0.002059 0.000857 0.005517 0.463057 -0.460231 0.585116 -0.002459 0.001199 0.024949 0.080755 -0.005594 -0.318594 0.025080 0.005387 0.008827 0.008920 -0.006240 -0.012147 0.041311 0.338870 -0.238435 0.010233 0.002457 -0.001824 0.018588 0.001930 0.031856 0.017266 0.385357 0.014788 -0.002513 -0.006915 0.013045 0.277290 0.459125 0.342027 -0.002124 0.012154 0.006623 -0.545382 0.022069 -0.577213 0.017599 -0.001235 0.001126 0.007570 0.007088 0.005722 0.009688 -0.069634 -0.130043 0.003587 0.011224 0.006711 -0.001680 0.009685 -0.000944 -0.032057 -0.401629 -0.053874 0.008125 0.006110 0.001076 -0.289830 0.443794 -0.505909 -0.010303 -0.006176 0.005033 0.437122 0.050110 -0.008083 -0.005490 -0.008019 -0.002080 -0.014218 0.007720 0.005104 -0.001268 -0.373523 0.046084 -0.001495 -0.003220 -0.010067 0.014120 0.000912 0.016999 -0.051977 0.026720 0.090576 -0.045989 0.088231 0.241348 0.048243 -0.048436 0.143722 -0.010534 0.009213 0.016994 0.212518 0.117176 0.230284 -0.006012 0.016690 0.015716 0.138559 0.039614 0.347185 0.039137 -0.001685 -0.005581 -0.143448 -0.142423 0.411149 -0.136521 0.065548 -0.162055 -0.005237 -0.002659 0.002458 -0.003722 -0.008906 0.021617 -0.003116 -0.003034 -0.004111 0.012313 0.001644 0.008492 0.002863 -0.011329 0.009846 0.157830 -0.017704 0.436076 0.075701 0.062513 -0.166791 -0.005007 0.009266 0.017141 0.005166 0.007022 0.001653 -0.005442 -0.002909 0.008245 -0.091719 -0.142657 -0.068769 -0.004420 0.040738 0.113409 0.004264 -0.003723 -0.001343 0.004367 0.001256 0.013666 -0.022314 -0.004330 -0.018517 0.001841 0.001436 0.004447 0.000670 0.005016 0.011481 0.036454 -0.003278 0.113453 0.007105 0.002846 -0.003774 -0.011506 -0.002725 0.011537 0.086763 -0.082970 -0.657764 -0.122362 -0.059648 -0.138813 -0.007650 -0.002865 0.008074 0.062035 -0.040425 -0.163679 -0.004418 -0.005563 0.003660 -0.008091 -0.003882 0.005616 0.111650 0.070238 0.040732 -0.176763 0.061920 -0.105353 -0.007328 0.003368 0.003403 -0.002968 0.001566 0.027287 -0.032623 0.005086 0.011878 0.155902 -0.364581 0.047961 0.002689 -0.009749 0.025108 -0.435912 -0.520826 0.107777 -0.019191 -0.010657 0.003355 -0.119921 -0.003842 0.261154 -0.024479 -0.000357 0.009962 0.006682 0.001621 0.002295 -0.027377 0.065836 -0.421613 -0.010080 -0.008497 0.016181 0.055367 -0.021677 -0.132992 -0.222021 0.400788 -0.062868 0.004552 -0.003358 0.004708 0.462964 -0.460342 0.584906 -0.005175 0.002606 0.024414 0.080553 -0.005707 -0.318580 0.025943 0.005771 0.012801 0.008987 -0.006999 -0.014308 0.041263 0.339083 -0.238890 0.009474 0.001462 -0.001657 0.024794 0.000726 0.036337 0.017160 0.386056 0.014774 -0.002602 -0.005316 0.013790 0.278034 0.458989 0.342403 -0.003046 0.012870 0.008006 -0.545427 0.022221 -0.579368 0.017864 0.000381 0.002435 0.007913 0.009259 0.005181 0.009662 -0.069571 -0.130007 0.003781 0.010350 0.008548 -0.000358 0.004649 -0.001749 -0.031972 -0.401716 -0.053687 0.007501 0.012026 0.002798 -0.290530 0.443979 -0.505777 -0.009816 -0.006900 0.005607 0.437351 0.050221 -0.008121 -0.006361 -0.009008 -0.003161 -0.014724 0.009515 0.004397 -0.001280 -0.373758 0.045853 -0.001597 -0.002426 -0.009475 0.015117 0.000921 0.016903 -0.000846 0.004859 -0.126965 -0.045844 0.088114 0.240476 0.047889 -0.048836 0.143669 -0.009806 0.012334 0.015838 0.212537 0.117427 0.229830 -0.007684 0.035828 0.019905 0.138641 0.039582 0.347017 0.055065 -0.002054 -0.004978 -0.143424 -0.142445 0.410716 -0.138147 0.066385 -0.161864 -0.006829 -0.002347 -0.003045 0.000613 -0.011185 0.027544 -0.008338 -0.002375 -0.004639 0.013034 0.000979 0.010783 0.003083 -0.014497 0.011032 0.158607 -0.017669 0.435364 0.075718 0.063422 -0.168394 -0.005748 0.007105 0.019551 0.009893 0.007499 0.001850 -0.007729 -0.004310 0.010820 -0.091347 -0.142681 -0.067635 -0.005412 0.041423 0.115551 0.003096 -0.002168 0.000348 0.004471 0.000448 0.012843 -0.017713 -0.006233 -0.014253 0.002206 0.002516 0.001336 0.000101 0.010584 0.008179 0.036840 -0.003864 0.112903 0.010129 0.001205 -0.001750 -0.012570 -0.001627 0.006958 0.086792 -0.083071 -0.657258 -0.122333 -0.059849 -0.139366 -0.005440 -0.004040 0.009985 0.062796 -0.041216 -0.162234 -0.003537 -0.007834 0.003641 -0.012591 -0.003851 0.006865 0.112447 0.069890 0.040730 -0.176690 0.062201 -0.105416 -0.011231 -0.000500 0.003167 -0.003816 -0.003387 0.026928 -0.050678 0.006184 0.004657 0.157893 -0.363712 0.050500 0.003652 -0.012648 0.019762 -0.437048 -0.519580 0.108659 -0.027937 -0.010707 -0.000028 -0.119667 -0.004153 0.261296 -0.025749 0.001461 0.012128 0.009072 0.000213 0.000335 -0.027931 0.065932 -0.419528 -0.015822 -0.007439 0.010749 -0.000308 -0.003318 0.081442 -0.223606 0.401195 -0.062081 0.008050 0.001538 -0.000023 0.463891 -0.460583 0.584668 -0.009115 -0.000518 0.023050 0.080452 -0.005961 -0.318586 0.027691 0.005092 0.012507 0.008760 -0.012338 -0.010263 0.041405 0.339347 -0.238613 0.012667 -0.000840 0.000501 0.037969 -0.001842 0.040322 0.017175 0.385234 0.015440 -0.003390 -0.003787 0.012799 0.276455 0.457713 0.344896 -0.004934 0.016251 0.008684 -0.545662 0.022629 -0.577333 0.019887 -0.002093 0.000408 0.007650 0.014416 0.003972 0.009635 -0.069482 -0.129631 0.003424 0.008842 0.009299 0.000294 -0.003609 -0.004529 -0.031705 -0.402612 -0.053839 0.007751 0.008041 0.004802 -0.288940 0.444061 -0.505494 -0.007554 -0.003123 0.003151 0.437557 0.050603 -0.008124 -0.006424 -0.007311 -0.001747 -0.016944 0.015722 0.006423 -0.001213 -0.373970 0.045907 -0.000076 -0.000550 -0.009661 0.016492 -0.000059 0.017089 0.001294 0.003392 -0.135397 -0.045075 0.087944 0.241599 0.048498 -0.049047 0.143477 -0.007908 0.013276 0.014571 0.212500 0.117164 0.229794 -0.007004 0.037208 0.021808 0.138809 0.039574 0.346949 0.050599 -0.003654 -0.004829 -0.143487 -0.142344 0.410551 -0.139337 0.066682 -0.161663 -0.006244 -0.002074 -0.002679 0.002419 -0.011149 0.026517 -0.009148 -0.001442 -0.003877 0.010801 0.000025 0.010630 0.002631 -0.012689 0.011346 0.157572 -0.017651 0.435273 0.075837 0.064005 -0.168561 -0.005514 0.007780 0.019450 0.010185 0.006710 0.002539 -0.007060 -0.004323 0.011865 -0.091197 -0.142626 -0.067145 -0.006481 0.041716 0.117097 0.003011 -0.002401 0.001396 0.004657 0.000249 0.012047 -0.016232 -0.006637 -0.011688 0.002305 0.001866 0.000865 -0.000055 0.011106 0.007557 0.036272 -0.004101 0.112768 0.009930 0.001930 -0.000133 -0.011072 -0.002174 0.005511 0.086841 -0.082821 -0.656682 -0.122276 -0.059040 -0.140151 -0.003990 -0.002765 0.010652 0.063004 -0.041667 -0.161611 -0.003622 -0.007145 0.003740 -0.013189 -0.003897 0.007144 0.113410 0.070151 0.040800 -0.176476 0.061344 -0.106056 -0.009977 -0.001586 0.003214 -0.004743 -0.004818 0.026003 -0.049861 0.005860 0.004314 0.159994 -0.363241 0.048047 -0.000173 -0.015068 0.017064 -0.437253 -0.514461 0.109430 -0.028569 -0.011287 -0.001917 -0.119557 -0.003975 0.261078 -0.023238 0.000707 0.011457 0.010422 -0.001351 -0.001111 -0.027537 0.065894 -0.425979 -0.015037 -0.005779 0.012989 -0.005230 -0.002545 0.093115 -0.224501 0.400835 -0.061593 0.012658 0.003852 -0.003960 0.464182 -0.460631 0.583064 -0.007863 0.000230 0.022550 0.080391 -0.005891 -0.318706 0.025942 0.005408 0.014528 0.008039 -0.013339 -0.007196 0.041152 0.339448 -0.239025 0.009927 -0.002902 0.000984 0.035965 -0.001549 0.041706 0.016946 0.385085 0.016132 -0.003863 -0.001949 0.011482 0.276262 0.452411 0.345966 -0.006021 0.016580 0.008389 -0.545904 0.022510 -0.576694 0.018207 -0.002025 -0.000075 0.008793 0.017742 0.004846 0.009736 -0.069342 -0.129746 0.003256 0.006923 0.009769 0.001751 -0.006983 -0.005811 -0.031295 -0.402919 -0.053700 0.005961 0.005747 0.006981 -0.288413 0.444191 -0.505225 -0.006897 -0.002882 0.001948 0.437686 0.050582 -0.008211 -0.006453 -0.004569 0.000101 -0.015886 0.016411 0.006047 -0.001210 -0.374038 0.045781 -0.000061 0.001517 -0.010324 0.017064 -0.001275 0.016814 0.007918 -0.001135 -0.164327 -0.044847 0.087598 0.242483 0.045993 -0.051518 0.142829 -0.004331 0.014452 0.013639 0.212345 0.117219 0.229326 -0.007794 0.042433 0.025737 0.138676 0.039587 0.346887 0.039220 -0.005235 0.001319 -0.143460 -0.142149 0.410334 -0.140038 0.069992 -0.161270 -0.006855 -0.001892 -0.003082 0.004437 -0.009214 0.025050 -0.011713 -0.000743 -0.005333 0.005295 -0.000062 0.005008 0.002760 -0.010317 0.011894 0.156801 -0.017715 0.437134 0.076408 0.065594 -0.169602 -0.004474 0.004850 0.016620 0.011336 0.003910 0.003659 -0.006823 -0.003522 0.014840 -0.091421 -0.142669 -0.066149 -0.008112 0.042184 0.121438 0.001582 -0.003632 0.003498 0.005394 0.000910 0.009634 -0.012867 -0.006288 -0.006246 0.001642 0.000587 -0.002630 0.000322 0.012610 0.004658 0.038013 -0.006344 0.113142 0.008764 0.003666 0.002389 -0.007660 -0.003131 0.002529 0.086908 -0.082711 -0.655263 -0.122370 -0.058714 -0.139157 0.000026 -0.000363 0.008728 0.064850 -0.042901 -0.159785 -0.003927 -0.005909 0.004478 -0.014008 -0.002054 0.008326 0.112988 0.071450 0.040278 -0.176489 0.061122 -0.104180 -0.006117 -0.006122 0.001719 -0.005952 -0.006975 0.022654 -0.045694 0.005977 0.002963 0.154942 -0.362821 0.048428 -0.002502 -0.014898 0.012451 -0.437563 -0.523979 0.113628 -0.024914 -0.007976 -0.006539 -0.118927 -0.004591 0.261405 -0.019564 0.001138 0.010646 0.013571 -0.003124 -0.004390 -0.027074 0.065767 -0.425922 -0.013261 -0.004348 0.010732 -0.017488 -0.001979 0.116591 -0.219415 0.400978 -0.059764 0.016826 -0.002629 -0.007114 0.464618 -0.461080 0.581230 -0.002866 0.002727 0.018879 0.079645 -0.006494 -0.318224 0.023102 0.007241 0.020084 0.005949 -0.012902 -0.006731 0.041343 0.339888 -0.239515 0.007792 -0.004995 0.007089 0.030826 -0.002594 0.039894 0.017701 0.384894 0.017595 -0.004828 0.003265 0.008710 0.274541 0.462223 0.348278 -0.006053 0.013954 0.009538 -0.546524 0.023180 -0.574247 0.020665 -0.003031 0.001027 0.009340 0.019728 0.002648 0.009672 -0.069097 -0.128916 0.001302 0.004309 0.009597 0.004377 -0.013136 -0.006572 -0.031930 -0.403959 -0.052944 0.002200 0.009060 0.009557 -0.286886 0.444627 -0.503644 -0.003641 -0.003305 -0.000663 0.437961 0.051279 -0.007614 -0.007799 0.000197 0.003486 -0.013006 0.016728 0.003680 -0.001351 -0.374697 0.046137 -0.000850 0.000105 -0.008624 0.013346 -0.002476 0.013941 0.022264 -0.010709 -0.223251 -0.043465 0.087446 0.243514 0.044794 -0.054548 0.141769 0.002283 0.016799 0.013200 0.212423 0.117031 0.228984 -0.004341 0.056923 0.036049 0.138759 0.039651 0.346409 0.016483 -0.008462 0.013361 -0.143702 -0.142231 0.409666 -0.144608 0.074061 -0.160455 -0.005125 -0.000116 -0.001538 0.012435 -0.005972 0.022903 -0.015783 0.002110 -0.004702 -0.006633 -0.001090 0.001689 -0.000377 -0.002338 0.011084 0.155748 -0.017632 0.436387 0.077643 0.066902 -0.171548 -0.002973 -0.000825 0.011650 0.013588 -0.003520 0.006292 -0.003441 -0.002338 0.020622 -0.091840 -0.144242 -0.063703 -0.011296 0.043810 0.128888 0.000075 -0.004475 0.008504 0.007391 -0.000087 0.005484 -0.005320 -0.005991 0.007723 0.000179 -0.001890 -0.007742 0.000403 0.015581 -0.001900 0.038089 -0.008725 0.117107 0.006502 0.007580 0.008865 -0.001340 -0.005118 -0.004961 0.086838 -0.082399 -0.652273 -0.122317 -0.057547 -0.140318 0.008026 0.004533 0.007996 0.067399 -0.045137 -0.156346 -0.003529 -0.002706 0.005460 -0.016160 0.000992 0.010875 0.114643 0.072341 0.040232 -0.177137 0.059984 -0.103347 0.002307 -0.014491 -0.000365 -0.008648 -0.012330 0.016928 -0.036441 0.004760 0.001425 0.160073 -0.366118 0.047423 -0.008662 -0.018557 0.002166 -0.438749 -0.523115 0.121185 -0.013771 -0.000634 -0.019446 -0.118865 -0.005455 0.261487 -0.013718 0.003201 0.010830 0.019956 -0.008558 -0.008378 -0.026726 0.065496 -0.430546 -0.012245 -0.003294 0.007231 -0.045778 0.001343 0.170209 -0.223181 0.400495 -0.054868 0.022016 0.002148 -0.018225 0.466418 -0.460991 0.577967 0.004954 0.003778 0.010075 0.079410 -0.007196 -0.317982 0.018365 0.006769 0.024858 0.001201 -0.014884 0.001360 0.040778 0.339587 -0.239682 0.007861 -0.010880 0.014001 0.016138 0.000771 0.037360 0.018787 0.388593 0.020552 -0.005482 0.010068 -0.003067 0.275936 0.461907 0.353010 -0.007350 0.008536 0.010029 -0.546915 0.024171 -0.577327 0.011266 -0.001972 0.005304 0.010717 0.027151 -0.000197 0.009746 -0.068409 -0.128391 0.000042 -0.000943 0.007777 0.010354 -0.030244 -0.011704 -0.032619 -0.405096 -0.051559 -0.006252 0.000069 0.015040 -0.288199 0.445217 -0.500849 0.004081 -0.002148 -0.002977 0.438632 0.052131 -0.007161 -0.008342 0.009675 0.013463 -0.008429 0.017777 -0.001689 -0.001722 -0.374387 0.046132 0.002069 0.006387 -0.002751 0.004408 -0.007972 0.008723 -0.041185 0.014872 0.025636 -0.043715 0.087358 0.243448 0.045987 -0.053319 0.141592 0.004812 0.016037 0.013657 0.212301 0.116984 0.228517 -0.003432 0.041645 0.034014 0.138754 0.039615 0.346018 0.004226 -0.008103 0.015267 -0.143910 -0.142263 0.409231 -0.147811 0.073309 -0.160234 -0.004071 0.001306 0.001690 0.013180 -0.004133 0.019502 -0.013717 0.002752 -0.001230 -0.006710 -0.001856 0.004762 0.000915 0.000360 0.008334 0.157051 -0.017679 0.433549 0.077821 0.067720 -0.171222 -0.005035 -0.003009 0.009436 0.010915 -0.003729 0.008093 0.000495 -0.001499 0.020808 -0.092061 -0.144147 -0.063380 -0.013281 0.045132 0.130470 0.001188 -0.004307 0.009220 0.006027 -0.000949 0.004038 -0.004791 -0.004556 0.010514 -0.000247 -0.002170 -0.006187 0.000863 0.012345 -0.002523 0.036352 -0.007963 0.116778 0.004156 0.009718 0.010658 -0.000715 -0.005609 -0.006541 0.086697 -0.082437 -0.651672 -0.122467 -0.057338 -0.143483 0.008675 0.005545 0.009583 0.067897 -0.045825 -0.155156 -0.004863 0.000294 0.005082 -0.015270 0.003267 0.009884 0.117526 0.071536 0.040117 -0.177226 0.059674 -0.106030 0.004081 -0.015016 -0.000027 -0.009942 -0.011134 0.014495 -0.025266 0.004709 0.002370 0.168850 -0.365233 0.045758 -0.001582 -0.018816 -0.000158 -0.439549 -0.505579 0.124351 -0.006815 0.002313 -0.019707 -0.118289 -0.005730 0.261073 -0.007887 0.003777 0.011376 0.020915 -0.009310 -0.007975 -0.027730 0.065293 -0.432246 -0.009312 -0.001617 0.005574 0.016310 -0.021533 -0.071492 -0.229999 0.399545 -0.052316 0.014431 0.007588 -0.016860 0.466605 -0.459866 0.576015 0.009950 -0.006965 0.008396 0.078690 -0.007495 -0.318034 0.013645 0.007678 0.024270 -0.001812 -0.009529 0.008408 0.040132 0.340224 -0.239463 0.004391 -0.010369 0.011839 0.005947 0.002195 0.030536 0.019584 0.387963 0.021562 -0.005008 0.012210 -0.003941 0.275629 0.443690 0.355062 -0.007432 0.004839 0.010127 -0.547519 0.024417 -0.576877 0.006749 -0.002491 0.006026 0.010375 0.026107 -0.001140 0.009681 -0.068206 -0.127506 -0.000978 -0.002079 0.004903 0.011789 -0.026545 -0.013821 -0.033523 -0.404844 -0.051221 -0.009594 -0.008722 0.014806 -0.287473 0.444139 -0.499967 0.006388 0.007720 -0.003125 0.438830 0.052372 -0.007327 -0.007772 0.012001 0.015256 -0.003977 0.011183 -0.003453 -0.001924 -0.374911 0.045958 0.004593 0.006765 -0.001986 0.000485 -0.009315 0.008238 -0.049587 0.018401 0.057559 -0.043180 0.087459 0.243017 0.047475 -0.052296 0.142000 0.004682 0.015918 0.014602 0.212356 0.117089 0.228766 -0.002703 0.039869 0.033430 0.138910 0.039589 0.346178 0.002480 -0.008415 0.015685 -0.144043 -0.142315 0.409276 -0.149275 0.072190 -0.159755 -0.003268 0.001922 0.002725 0.014844 -0.005342 0.019500 -0.013405 0.003729 0.001241 -0.007161 -0.002626 0.008046 0.000850 0.000979 0.008383 0.157140 -0.017592 0.432126 0.077691 0.067850 -0.170745 -0.005052 -0.003195 0.009939 0.010552 -0.003518 0.008935 0.000908 -0.001582 0.021052 -0.091873 -0.144118 -0.062833 -0.013605 0.045412 0.130900 0.001456 -0.003581 0.009657 0.006314 -0.001029 0.005169 -0.003784 -0.004601 0.011916 -0.000097 -0.002476 -0.004700 0.000488 0.011614 -0.002268 0.035036 -0.006956 0.116945 0.003952 0.009667 0.011624 -0.000841 -0.006564 -0.006946 0.086648 -0.082491 -0.651427 -0.122413 -0.057047 -0.144360 0.009180 0.005829 0.011344 0.067561 -0.045862 -0.154742 -0.005049 0.001182 0.004737 -0.015927 0.003895 0.010356 0.118522 0.070740 0.041026 -0.177170 0.059437 -0.106831 0.004493 -0.015286 0.000536 -0.010424 -0.010831 0.014854 -0.023611 0.004398 0.002459 0.174628 -0.364802 0.045595 -0.000880 -0.018481 -0.004413 -0.439418 -0.500442 0.124568 -0.003236 0.004068 -0.018399 -0.118263 -0.005450 0.260770 -0.004346 0.004032 0.009438 0.022056 -0.010401 -0.007081 -0.027744 0.065385 -0.434465 -0.009719 -0.000822 0.005583 0.024803 -0.025695 -0.106874 -0.235199 0.399397 -0.051386 0.012741 0.014998 -0.018582 0.466667 -0.459537 0.575807 0.009051 -0.008293 0.005672 0.078700 -0.007173 -0.318282 0.009733 0.007369 0.022119 -0.003787 -0.008409 0.013808 0.039691 0.340453 -0.239066 0.002629 -0.011317 0.011366 0.003228 0.001316 0.026913 0.019277 0.387534 0.021946 -0.004141 0.013647 -0.005382 0.275602 0.438355 0.355480 -0.007561 0.002838 0.009151 -0.547559 0.024279 -0.576892 0.003874 -0.003597 0.005460 0.009866 0.026569 -0.001225 0.009736 -0.068151 -0.127804 -0.001588 -0.003938 0.004603 0.012640 -0.024850 -0.013985 -0.033147 -0.404663 -0.051218 -0.010767 -0.016302 0.015273 -0.287273 0.444026 -0.499915 0.007651 0.009637 -0.004282 0.438801 0.052133 -0.007428 -0.006615 0.013266 0.015673 -0.001465 0.009282 -0.003490 -0.001923 -0.374927 0.045883 0.004788 0.008468 -0.001377 -0.000605 -0.009249 0.007065 -0.046228 0.017060 0.044163 -0.042354 0.087218 0.244157 0.045468 -0.054108 0.142000 0.004293 0.016275 0.015500 0.212332 0.116858 0.228757 -0.002901 0.041134 0.033705 0.138758 0.039610 0.346271 0.004331 -0.009529 0.016362 -0.143807 -0.142237 0.409328 -0.147181 0.074067 -0.159731 -0.004009 0.001288 0.003000 0.013516 -0.004639 0.018682 -0.013663 0.002739 -0.001259 -0.009160 -0.001840 0.001956 -0.000855 0.002084 0.008557 0.154904 -0.017678 0.435397 0.077903 0.068018 -0.170859 -0.003182 -0.001462 0.010485 0.010976 -0.003430 0.008304 0.001059 -0.001754 0.021530 -0.092024 -0.144145 -0.062994 -0.013942 0.044628 0.131456 0.000103 -0.005048 0.009640 0.007276 -0.000793 0.003982 -0.003157 -0.004694 0.012742 0.000062 -0.003164 -0.006153 0.000673 0.011727 -0.002466 0.036959 -0.008614 0.117152 0.004038 0.009643 0.011423 0.000671 -0.006636 -0.005890 0.086749 -0.082283 -0.651412 -0.122409 -0.056357 -0.142288 0.008921 0.006316 0.008991 0.067837 -0.045900 -0.154787 -0.005055 0.000376 0.005573 -0.015104 0.003559 0.010324 0.116685 0.072203 0.040613 -0.177153 0.058697 -0.104804 0.004080 -0.014512 -0.000056 -0.009934 -0.010938 0.016233 -0.024324 0.004792 0.004155 0.164778 -0.365057 0.046867 -0.007785 -0.018748 -0.005476 -0.438938 -0.512704 0.124884 -0.004822 0.003983 -0.018124 -0.118117 -0.005413 0.260871 -0.004297 0.005372 0.009687 0.022231 -0.011019 -0.007221 -0.026360 0.065415 -0.437935 -0.009532 -0.000788 0.009668 0.021577 -0.024764 -0.095140 -0.225975 0.399433 -0.051880 0.019047 0.006584 -0.018772 0.466584 -0.460016 0.575365 0.009446 -0.001303 0.005153 0.078611 -0.007079 -0.318162 0.010127 0.007601 0.025300 -0.003936 -0.008052 0.010785 0.039820 0.340337 -0.240088 0.002993 -0.011055 0.011858 0.003062 0.001033 0.026991 0.019374 0.388019 0.021928 -0.004425 0.014064 -0.005399 0.275794 0.451139 0.355110 -0.007128 0.002654 0.008889 -0.547530 0.024265 -0.576780 0.004416 -0.005035 0.005579 0.009943 0.027098 -0.001229 0.009810 -0.068188 -0.128116 -0.001487 -0.004233 0.004721 0.012728 -0.024729 -0.013939 -0.033119 -0.405095 -0.051002 -0.010561 -0.007422 0.015646 -0.287696 0.444380 -0.499772 0.007289 0.002288 -0.004428 0.438865 0.052043 -0.007302 -0.006946 0.013167 0.015895 -0.001221 0.009429 -0.003627 -0.001925 -0.375062 0.045897 0.004812 0.008057 -0.000864 -0.000654 -0.009131 0.006425 -0.045401 0.017618 0.040628 -0.042821 0.087415 0.244392 0.045474 -0.053690 0.142425 0.005212 0.013682 0.013107 0.212454 0.116833 0.228694 -0.001841 0.020282 0.027615 0.138745 0.039677 0.346056 -0.001203 -0.008753 0.013803 -0.143914 -0.142290 0.409366 -0.148070 0.073925 -0.159004 -0.004130 0.001499 0.004329 0.010126 -0.002953 0.016375 -0.011131 0.002450 0.000994 -0.007593 -0.000305 0.002682 0.000027 0.003189 0.006258 0.155554 -0.017624 0.434464 0.078409 0.068075 -0.169592 -0.003626 -0.002604 0.008122 0.007533 -0.003178 0.008095 0.004686 -0.001138 0.017618 -0.092651 -0.144291 -0.062808 -0.014649 0.045309 0.132047 0.000046 -0.005003 0.010547 0.006499 -0.001535 0.002926 -0.005882 -0.002650 0.012053 -0.000418 -0.002977 -0.004063 0.001965 0.006708 -0.002117 0.036551 -0.008390 0.118019 0.002733 0.011399 0.010887 0.001423 -0.005627 -0.005450 0.086761 -0.082239 -0.650978 -0.122485 -0.056464 -0.143185 0.007018 0.006173 0.008180 0.068272 -0.046100 -0.153768 -0.006900 0.001623 0.005374 -0.012476 0.003398 0.007196 0.117584 0.072121 0.040261 -0.177463 0.058876 -0.105326 0.003854 -0.012919 0.000718 -0.009619 -0.008443 0.013584 -0.009112 0.005853 0.004306 0.166724 -0.365644 0.046813 -0.005579 -0.017099 -0.002922 -0.438848 -0.508344 0.127095 -0.002481 0.003142 -0.017094 -0.118216 -0.005542 0.260808 -0.003310 0.004530 0.009551 0.021875 -0.010087 -0.004216 -0.026961 0.065365 -0.437018 -0.007518 -0.001193 0.008411 0.017876 -0.022158 -0.092092 -0.227474 0.399216 -0.050850 0.016380 0.005488 -0.015723 0.466459 -0.459362 0.574034 0.012643 -0.005948 0.008634 0.078625 -0.007334 -0.318173 0.010486 0.006372 0.023631 -0.004512 -0.006202 0.010799 0.039848 0.340306 -0.240080 0.001369 -0.007807 0.009837 -0.003836 0.000371 0.026075 0.019901 0.388723 0.021943 -0.004896 0.013938 -0.003844 0.276547 0.446701 0.355270 -0.006755 0.000744 0.008919 -0.547562 0.024447 -0.578317 0.003576 -0.004372 0.007011 0.008745 0.025512 0.000303 0.009729 -0.068108 -0.127644 -0.002579 -0.002581 0.003908 0.011440 -0.014113 -0.012336 -0.033788 -0.404638 -0.050700 -0.010702 -0.006588 0.014037 -0.288444 0.443938 -0.498917 0.007664 0.005297 -0.001893 0.438989 0.052280 -0.007198 -0.005938 0.012482 0.015174 -0.000762 0.006794 -0.002378 -0.001995 -0.374947 0.045930 0.004235 0.008176 -0.000154 -0.000497 -0.008686 0.008543 -0.042155 0.019198 0.029521 -0.041924 0.087672 0.244595 0.044934 -0.054084 0.144033 0.005745 0.005266 0.006415 0.212830 0.116837 0.227905 0.004579 -0.041119 0.010900 0.139115 0.039881 0.345362 -0.017915 -0.003584 0.006033 -0.143737 -0.142129 0.408981 -0.149354 0.074742 -0.156430 -0.004439 0.001302 0.006582 -0.000442 0.005082 0.008844 -0.001358 0.001413 0.006758 -0.003525 0.005086 0.000520 0.002375 0.006600 0.000003 0.157106 -0.017555 0.434217 0.080086 0.069208 -0.165670 -0.004171 -0.005638 0.002832 -0.001986 -0.001820 0.007671 0.013141 0.000664 0.005841 -0.093859 -0.144046 -0.062079 -0.015830 0.046485 0.134313 -0.000651 -0.005932 0.014877 0.006254 -0.002789 0.001373 -0.013376 0.003411 0.012055 -0.000869 -0.004540 0.002747 0.005590 -0.007835 0.000005 0.036608 -0.008674 0.118942 -0.000211 0.015140 0.010064 0.004067 -0.002641 -0.002252 0.087115 -0.081958 -0.649952 -0.122259 -0.055818 -0.144442 0.002004 0.006724 0.005940 0.069923 -0.046994 -0.150211 -0.011485 0.005760 0.007669 -0.006175 0.002608 0.000211 0.119166 0.072761 0.039788 -0.177435 0.058584 -0.105616 0.003263 -0.007538 0.003683 -0.010446 -0.000626 0.009009 0.038058 0.009007 0.006813 0.164724 -0.364956 0.047872 0.005228 -0.010529 -0.000877 -0.436603 -0.511015 0.135192 0.007592 0.001002 -0.010533 -0.117517 -0.005663 0.260303 -0.000493 0.002011 0.004174 0.017863 -0.006418 0.006468 -0.028131 0.065206 -0.433160 -0.000599 -0.002083 0.001077 0.002352 -0.014463 -0.076216 -0.224527 0.398420 -0.046186 0.007640 -0.005682 -0.006564 0.465566 -0.457475 0.569995 0.017441 -0.017479 0.013031 0.078492 -0.007525 -0.318004 0.006423 0.003674 0.020099 -0.009337 0.008447 0.012002 0.040140 0.340711 -0.240673 -0.007078 0.003018 0.001926 -0.028852 -0.003733 0.013731 0.021631 0.388629 0.023033 -0.005143 0.012955 0.002888 0.276866 0.449288 0.355446 -0.002800 -0.009855 0.004222 -0.547759 0.024790 -0.578448 -0.002649 -0.003981 0.008888 0.003612 0.013596 0.005595 0.010191 -0.067833 -0.127211 -0.002803 0.000079 -0.001990 0.006947 0.020932 -0.007018 -0.035002 -0.402948 -0.048994 -0.009269 0.005303 0.007848 -0.288111 0.442755 -0.495592 0.008949 0.012786 0.004655 0.439863 0.052800 -0.006845 -0.000605 0.007674 0.010518 0.002506 -0.010270 0.001065 -0.002000 -0.375207 0.045959 0.000764 0.008778 0.003126 -0.003868 -0.003849 0.011350 -0.035192 0.021748 0.000156 -0.039057 0.087343 0.247534 0.044775 -0.054219 0.147618 0.010329 -0.010386 -0.002351 0.213432 0.116032 0.226722 0.019000 -0.162752 -0.021128 0.139373 0.039930 0.344252 -0.048467 -0.005258 -0.009469 -0.143417 -0.142211 0.408582 -0.152424 0.075154 -0.151564 -0.004443 0.002790 0.017242 -0.013371 0.015185 -0.008508 0.017831 0.001401 0.023693 -0.003715 0.013160 -0.003654 0.000608 0.018730 -0.011944 0.153622 -0.017743 0.433032 0.082683 0.070622 -0.158394 -0.000084 -0.005842 -0.005997 -0.019712 0.001592 0.007575 0.032479 0.004338 -0.015261 -0.096050 -0.144017 -0.060627 -0.021721 0.047794 0.139674 -0.001409 -0.007843 0.020435 0.005699 -0.006360 -0.003536 -0.026564 0.014215 0.015299 -0.001348 -0.008492 0.015412 0.012081 -0.039554 0.000477 0.036138 -0.009467 0.120248 -0.007621 0.024306 0.007493 0.011867 -0.000320 0.005045 0.087595 -0.081706 -0.647321 -0.122068 -0.053099 -0.147385 -0.006280 0.008251 0.001590 0.073017 -0.049102 -0.144120 -0.022465 0.015301 0.008940 0.007320 0.003772 -0.016045 0.122237 0.073027 0.039900 -0.177531 0.055474 -0.106578 0.000204 0.003417 0.006677 -0.016693 0.015673 -0.001276 0.134609 0.012176 0.009094 0.166681 -0.363683 0.048219 0.007243 0.008601 -0.000681 -0.432312 -0.506149 0.150799 0.030156 -0.000124 0.003411 -0.116382 -0.005880 0.259095 0.013792 0.002522 -0.008067 0.011183 0.002092 0.029997 -0.025724 0.064710 -0.450285 0.010584 -0.000166 0.011298 -0.034134 0.012129 -0.026637 -0.222705 0.395584 -0.035226 0.000113 -0.004654 0.015644 0.464132 -0.452910 0.562667 0.024850 -0.018286 0.019544 0.077894 -0.007866 -0.318372 -0.009256 -0.002826 -0.003310 -0.016981 0.037456 0.026360 0.038998 0.341336 -0.242437 -0.022947 0.024843 -0.013264 -0.075567 -0.007458 -0.015342 0.025534 0.387918 0.025198 -0.006580 0.009746 0.012011 0.276990 0.443743 0.357170 0.005000 -0.029991 -0.002428 -0.548489 0.024837 -0.578328 -0.012574 -0.008875 0.011507 -0.007080 -0.012862 0.014010 0.010997 -0.067759 -0.126928 -0.003227 0.008140 -0.010715 -0.001390 0.090969 0.006276 -0.038060 -0.400166 -0.046329 -0.004332 0.004568 -0.008710 -0.287748 0.438605 -0.489223 0.010977 0.006252 0.019128 0.441088 0.052752 -0.006647 0.009872 -0.002621 -0.003465 0.011914 -0.042883 0.008049 -0.002416 -0.376136 0.045664 -0.006986 0.009634 0.011836 -0.008377 0.001800 0.016980 -0.041162 0.020248 0.019988 -0.039590 0.087382 0.247169 0.046718 -0.052852 0.145731 0.007867 0.003749 0.008785 0.213190 0.116469 0.227971 0.010354 -0.071394 0.001541 0.139180 0.039841 0.345518 -0.025610 -0.008301 0.003484 -0.143468 -0.142322 0.409332 -0.150894 0.073410 -0.154679 -0.003404 0.002408 0.011208 0.001339 0.006275 0.000853 0.004196 0.003277 0.016120 -0.009518 0.005675 0.001256 -0.001830 0.014033 -0.004142 0.151298 -0.017571 0.432179 0.080426 0.069026 -0.163703 0.000956 -0.001980 -0.000207 -0.006285 -0.001368 0.008158 0.019720 0.002338 0.000850 -0.093928 -0.144330 -0.061178 -0.019740 0.046309 0.136767 -0.000731 -0.005965 0.015559 0.007243 -0.003951 0.000062 -0.014523 0.006121 0.015933 -0.000352 -0.006952 0.006643 0.006593 -0.018280 -0.001933 0.035731 -0.007812 0.119510 -0.002647 0.018200 0.009162 0.008842 -0.002196 0.000658 0.087294 -0.082019 -0.648792 -0.122050 -0.053029 -0.145732 0.001505 0.008807 0.005845 0.070457 -0.047543 -0.148561 -0.015182 0.010173 0.006325 -0.003942 0.004435 -0.004552 0.120413 0.071636 0.041463 -0.177294 0.055398 -0.106400 0.002507 -0.003844 0.003104 -0.013172 0.003424 0.009499 0.065897 0.008506 0.008594 0.176943 -0.364679 0.045212 -0.008527 -0.001223 -0.002453 -0.434719 -0.500663 0.139533 0.018072 0.001708 -0.005003 -0.117121 -0.005537 0.259929 0.006859 0.001257 -0.003974 0.013100 -0.003351 0.015376 -0.023449 0.065210 -0.458236 0.003434 -0.000611 0.019257 -0.009972 -0.003941 -0.052884 -0.233604 0.396701 -0.041286 0.015335 0.012481 0.000723 0.465582 -0.455032 0.568446 0.014803 -0.003856 0.009753 0.078421 -0.007371 -0.318384 -0.002544 0.000330 0.003307 -0.011353 0.016863 0.025197 0.038496 0.340854 -0.240736 -0.014738 0.009324 -0.003397 -0.043519 -0.004460 -0.000137 0.023521 0.388264 0.023917 -0.003484 0.009729 0.005703 0.276720 0.438765 0.357314 -0.000738 -0.016669 0.001104 -0.547788 0.024608 -0.578968 -0.007898 -0.007104 0.008772 0.000183 0.001039 0.008887 0.010555 -0.067910 -0.127479 -0.003347 -0.000402 -0.007478 0.004388 0.041789 -0.002349 -0.036237 -0.401951 -0.048780 -0.005745 -0.014077 0.001241 -0.287989 0.440312 -0.493689 0.009608 -0.002005 0.007833 0.440029 0.052258 -0.006999 0.005193 0.003093 0.004179 0.006581 -0.022268 0.003382 -0.002077 -0.375303 0.045813 -0.002447 0.009751 0.007545 -0.006930 -0.001357 0.010416 -0.009480 0.006856 -0.091080 -0.040091 0.087399 0.246299 0.044838 -0.053464 0.146641 0.005833 0.002763 0.000580 0.213101 0.116522 0.227416 0.009195 -0.058969 -0.005657 0.139107 0.039880 0.345057 -0.012780 -0.001756 -0.000360 -0.143591 -0.142252 0.408871 -0.150257 0.074410 -0.153755 -0.003823 -0.000261 0.004406 -0.004020 0.005730 0.007884 0.004503 0.001729 0.011331 -0.001414 0.006981 -0.000306 0.001507 0.006858 -0.004271 0.153590 -0.017717 0.433346 0.080734 0.069728 -0.162555 -0.001485 -0.005214 0.001476 -0.007763 -0.000260 0.004874 0.012972 0.001790 -0.003695 -0.094666 -0.143859 -0.060252 -0.019504 0.046774 0.137783 -0.002271 -0.002320 0.015929 0.004039 -0.004720 -0.001431 -0.015828 0.005557 0.013379 -0.001022 -0.003756 0.007416 0.005831 -0.013809 -0.000716 0.036717 -0.008886 0.119911 -0.001278 0.012899 0.007785 0.007450 -0.000549 -0.000505 0.087238 -0.081985 -0.648738 -0.122157 -0.053644 -0.145597 -0.001640 0.005633 0.003281 0.070922 -0.048354 -0.146003 -0.010969 0.003593 0.007385 0.000362 0.001503 -0.004808 0.120140 0.072421 0.041278 -0.177476 0.056072 -0.106060 -0.001010 -0.003134 0.004486 -0.010672 0.002281 0.005617 0.047248 0.009599 0.001837 0.168238 -0.364003 0.049404 -0.000661 -0.002351 -0.000636 -0.434405 -0.508646 0.143203 0.012224 0.000494 -0.002849 -0.117086 -0.006053 0.259982 0.005835 0.003021 -0.002935 0.014914 -0.004476 0.017843 -0.025808 0.064956 -0.447946 0.002553 -0.000437 0.010958 -0.036128 0.004776 0.047449 -0.226631 0.396976 -0.040714 0.010559 -0.002509 0.003388 0.465132 -0.455675 0.565527 0.013459 -0.012269 0.015778 0.078212 -0.008099 -0.318111 -0.001942 -0.000737 0.006910 -0.011771 0.014903 0.019617 0.039551 0.340949 -0.241215 -0.011729 0.009219 -0.004728 -0.029180 -0.006847 0.005282 0.023458 0.387817 0.024348 -0.003117 0.010425 0.006638 0.276274 0.446665 0.358157 -0.000797 -0.013368 0.001340 -0.548314 0.025053 -0.578410 -0.004340 -0.007395 0.010217 -0.001279 0.003063 0.009923 0.010383 -0.067861 -0.126698 -0.003654 0.002978 -0.003766 0.003794 0.041203 0.000980 -0.036729 -0.401723 -0.047878 -0.006420 0.002174 0.001854 -0.287550 0.441080 -0.492627 0.010303 0.004961 0.012860 0.440473 0.053015 -0.006665 0.005220 0.003442 0.002816 0.004458 -0.016622 0.004298 -0.002119 -0.375720 0.045953 -0.002177 0.006004 0.007536 -0.005332 -0.000452 0.014435 0.006063 0.000114 -0.145888 -0.039004 0.087381 0.245979 0.046606 -0.052256 0.147030 0.004710 0.003158 -0.001620 0.213085 0.116439 0.227058 0.009744 -0.054121 -0.008184 0.139325 0.039847 0.344639 -0.008020 0.001504 -0.000989 -0.143724 -0.142264 0.408360 -0.152163 0.073150 -0.153528 -0.002951 -0.000239 0.002405 -0.002779 0.004551 0.010241 0.004927 0.003095 0.012855 0.000420 0.005936 0.003215 0.002452 0.004697 -0.004112 0.153093 -0.017723 0.431444 0.080502 0.070106 -0.162121 -0.001664 -0.005849 0.002106 -0.008435 0.000601 0.003746 0.009655 0.002398 -0.005512 -0.094468 -0.143464 -0.059705 -0.020551 0.047186 0.137843 -0.002151 0.000881 0.014930 0.002902 -0.005078 -0.001229 -0.015677 0.005265 0.012790 -0.000906 -0.002956 0.009844 0.004876 -0.011802 -0.000546 0.035278 -0.008040 0.119012 -0.000597 0.010328 0.006999 0.006623 -0.000190 -0.001085 0.087183 -0.081890 -0.648833 -0.122075 -0.052829 -0.147513 -0.001000 0.004062 0.004434 0.070631 -0.048753 -0.144942 -0.008864 0.001756 0.006938 0.001697 -0.000044 -0.004293 0.121805 0.071810 0.042050 -0.177233 0.055257 -0.107908 -0.002761 -0.002960 0.004899 -0.009850 0.001860 0.004330 0.036630 0.009962 -0.002412 0.174022 -0.362749 0.049706 -0.000600 -0.001458 0.000867 -0.434250 -0.500447 0.144608 0.010234 0.000129 -0.001236 -0.116897 -0.005792 0.259424 0.003864 0.004173 -0.002221 0.016009 -0.005065 0.020043 -0.025860 0.065088 -0.453628 0.000687 -0.000729 0.014248 -0.050474 0.009508 0.097449 -0.231782 0.396789 -0.039767 0.010723 0.005860 0.004702 0.465419 -0.454994 0.564293 0.010816 -0.013172 0.018674 0.078071 -0.007756 -0.318810 -0.001768 -0.000589 0.002568 -0.012732 0.012858 0.024451 0.039014 0.341523 -0.241256 -0.009919 0.008937 -0.006387 -0.021654 -0.009657 0.007953 0.022781 0.386503 0.024545 -0.003827 0.009885 0.007314 0.275573 0.437992 0.359214 -0.001414 -0.012303 0.000964 -0.548566 0.024855 -0.577452 -0.003585 -0.006594 0.009976 -0.001546 0.003054 0.010595 0.010408 -0.067959 -0.127352 -0.003765 0.002951 -0.002458 0.002923 0.042194 0.001878 -0.036079 -0.401582 -0.047948 -0.005220 -0.007621 0.001202 -0.286796 0.440554 -0.492313 0.010917 0.004737 0.015687 0.440607 0.052693 -0.007260 0.005761 0.002932 0.001745 0.004379 -0.014041 0.005126 -0.002045 -0.376135 0.045519 -0.001923 0.004108 0.008123 -0.004841 0.000433 0.014489 0.037209 -0.013298 -0.255907 -0.039215 0.087540 0.247618 0.046118 -0.051764 0.148704 0.004318 0.003126 -0.006113 0.213376 0.116399 0.227347 0.007935 -0.040359 -0.010229 0.139409 0.040033 0.344878 0.003109 0.005464 -0.004030 -0.143630 -0.142204 0.408872 -0.152183 0.073316 -0.151898 -0.004942 -0.001569 -0.001796 -0.007592 0.004836 0.015076 0.005947 0.002591 0.009149 0.006391 0.007629 0.003107 0.005051 -0.001779 -0.002276 0.154008 -0.017728 0.432351 0.081006 0.070009 -0.160454 -0.003093 -0.007789 0.001286 -0.008547 0.001259 0.002178 0.004962 0.003332 -0.009146 -0.095042 -0.143443 -0.057839 -0.021214 0.047867 0.139199 -0.003272 0.004371 0.016140 -0.001122 -0.005913 -0.001857 -0.016804 0.005090 0.011342 -0.001163 -0.001243 0.011222 0.004639 -0.007096 0.000208 0.035478 -0.008255 0.120315 0.000834 0.006195 0.005857 0.005238 0.001793 -0.002094 0.087320 -0.081682 -0.647693 -0.121995 -0.053193 -0.147640 -0.004870 0.000050 0.003028 0.071410 -0.049413 -0.141438 -0.004484 -0.003892 0.008432 0.006096 -0.002375 -0.002534 0.122426 0.072097 0.042533 -0.177451 0.055737 -0.107639 -0.005223 -0.003115 0.005932 -0.007461 0.001707 0.000668 0.018698 0.012684 -0.007370 0.171003 -0.362773 0.049230 0.006592 0.001982 0.001486 -0.433506 -0.494459 0.148874 0.007046 -0.002952 0.001667 -0.116853 -0.005735 0.259175 0.003466 0.002669 -0.005790 0.010284 -0.005925 0.024249 -0.026595 0.064966 -0.450833 0.007293 0.000933 0.005486 -0.080481 0.022325 0.211894 -0.228357 0.396424 -0.037807 0.002737 -0.011452 0.008220 0.464889 -0.454588 0.562402 0.002056 -0.022256 0.021367 0.078359 -0.007725 -0.318508 -0.001625 -0.003023 0.001544 -0.010238 0.010158 0.016616 0.039026 0.341281 -0.241890 -0.012139 0.006787 -0.010805 -0.002374 -0.013747 0.008215 0.023043 0.386687 0.025401 -0.002017 0.005627 0.009326 0.276474 0.431739 0.359458 -0.000388 -0.007730 -0.000162 -0.548582 0.024833 -0.579168 -0.005074 -0.002553 0.009046 -0.003229 -0.001570 0.010866 0.010572 -0.067875 -0.126777 -0.003165 0.001908 -0.001623 0.002780 0.036432 0.007459 -0.036267 -0.400909 -0.046395 -0.003741 0.012224 0.000737 -0.287153 0.440653 -0.490788 0.008333 0.015047 0.018054 0.440987 0.052710 -0.006806 0.008507 0.001822 -0.003405 0.005007 -0.008115 0.006687 -0.002075 -0.375995 0.045692 -0.002668 0.000614 0.007774 -0.003600 0.004547 0.012345 0.023036 -0.007189 -0.207146 -0.039303 0.087591 0.247889 0.045488 -0.052386 0.148620 0.004800 0.003482 -0.000855 0.213435 0.116504 0.227605 0.010696 -0.047740 -0.008761 0.139334 0.039997 0.345272 -0.002706 0.002967 0.000386 -0.143424 -0.142253 0.409302 -0.151038 0.073890 -0.151763 -0.004519 -0.001058 0.002040 -0.006289 0.004762 0.012428 0.005193 0.002768 0.010142 0.002734 0.007447 0.001588 0.003297 0.001465 -0.002111 0.153177 -0.017721 0.432998 0.081071 0.069915 -0.160770 -0.001544 -0.005949 0.001108 -0.008213 0.000479 0.002732 0.007786 0.003247 -0.006951 -0.094859 -0.143580 -0.058206 -0.020641 0.047372 0.139633 -0.002947 0.001836 0.017042 0.001018 -0.005688 -0.001670 -0.016444 0.005284 0.012609 -0.001072 -0.001709 0.009803 0.005147 -0.009434 -0.000144 0.036452 -0.008336 0.120809 0.000314 0.008621 0.006741 0.006853 0.000725 -0.000892 0.087415 -0.081818 -0.647811 -0.121949 -0.053135 -0.146166 -0.002727 0.002292 0.002807 0.071640 -0.049128 -0.142382 -0.006479 -0.001753 0.008962 0.004025 -0.001401 -0.002777 0.121231 0.072080 0.042744 -0.177399 0.055688 -0.106274 -0.003556 -0.003073 0.005273 -0.008486 0.001785 0.003281 0.027317 0.011996 -0.003820 0.171741 -0.363222 0.047500 0.002006 0.003347 0.000129 -0.433072 -0.502053 0.147764 0.008808 -0.001732 0.002417 -0.116708 -0.005801 0.259443 0.005093 -0.000221 -0.007416 0.007076 -0.004610 0.022043 -0.025526 0.064929 -0.451749 0.006664 0.003208 0.002805 -0.069539 0.020167 0.174197 -0.229275 0.396599 -0.037844 0.004912 -0.010812 0.007382 0.464755 -0.455003 0.563380 0.002268 -0.015059 0.015930 0.078352 -0.007766 -0.318199 -0.003740 -0.003268 0.000176 -0.008911 0.010381 0.015765 0.039105 0.341095 -0.241494 -0.013667 0.006342 -0.009822 -0.006514 -0.012334 0.000894 0.023242 0.386780 0.025955 -0.001024 0.005222 0.008557 0.276006 0.439598 0.359354 -0.000435 -0.008249 -0.002540 -0.548318 0.024833 -0.579050 -0.006101 -0.000945 0.007661 -0.004018 -0.003529 0.009975 0.010667 -0.067847 -0.126748 -0.002869 0.001032 -0.002071 0.002323 0.033738 0.006389 -0.036338 -0.400962 -0.046130 -0.002883 0.012202 0.000224 -0.286815 0.440998 -0.490835 0.008847 0.009120 0.014198 0.440862 0.052730 -0.006587 0.008329 0.001672 -0.004041 0.005887 -0.009432 0.006442 -0.002048 -0.375849 0.045844 -0.002804 0.001644 0.007592 -0.004202 0.004214 0.009194 0.019149 -0.005796 -0.189257 -0.038342 0.087551 0.247583 0.046866 -0.051448 0.148757 0.004976 0.003258 -0.004916 0.213394 0.116402 0.227533 0.007225 -0.037566 -0.009392 0.139452 0.039954 0.344947 0.002661 0.003994 -0.004058 -0.143617 -0.142317 0.408842 -0.152497 0.072788 -0.151905 -0.003788 -0.001163 -0.001877 -0.004629 0.003798 0.013374 0.005395 0.003647 0.011046 0.003230 0.006177 0.004135 0.002969 0.000433 -0.002344 0.152401 -0.017688 0.431276 0.080775 0.069718 -0.160700 -0.001078 -0.005718 0.001446 -0.008165 0.000669 0.002223 0.005417 0.003338 -0.008188 -0.094733 -0.143611 -0.057861 -0.021634 0.047568 0.139598 -0.002668 0.004332 0.015131 0.000128 -0.005715 -0.002091 -0.015586 0.004525 0.012433 -0.000966 -0.001619 0.010449 0.003918 -0.007490 -0.000416 0.035188 -0.007685 0.120424 0.000643 0.006308 0.006020 0.006754 0.001479 -0.001735 0.087306 -0.081833 -0.647734 -0.121914 -0.052074 -0.147861 -0.003406 0.001295 0.003284 0.071092 -0.049269 -0.142059 -0.004567 -0.002579 0.007452 0.003996 -0.001679 -0.002565 0.122354 0.071540 0.043245 -0.177356 0.054487 -0.107904 -0.004670 -0.002650 0.005023 -0.008284 0.001129 0.001793 0.016885 0.011564 -0.006570 0.176404 -0.362934 0.049313 -0.000317 0.002692 0.000828 -0.433289 -0.496078 0.148527 0.007240 -0.001632 0.001788 -0.116980 -0.005806 0.259488 0.003537 0.002961 -0.005650 0.010173 -0.005998 0.023337 -0.025399 0.064950 -0.457628 0.005496 0.000738 0.011760 -0.060835 0.014309 0.146777 -0.233591 0.396283 -0.037176 0.007875 -0.001790 0.008527 0.465241 -0.454414 0.563191 0.001051 -0.013537 0.018032 0.078529 -0.007855 -0.318448 -0.002084 -0.002836 -0.001988 -0.009566 0.009804 0.020598 0.038787 0.341284 -0.241212 -0.010741 0.006036 -0.010111 -0.003544 -0.013385 0.007062 0.022861 0.386692 0.025894 -0.002355 0.005095 0.008870 0.276149 0.433533 0.360382 -0.000463 -0.008353 0.000248 -0.548562 0.024842 -0.579307 -0.005569 -0.002729 0.008611 -0.003009 -0.001211 0.010184 0.010573 -0.067856 -0.126853 -0.003161 0.001662 -0.000926 0.002631 0.034099 0.007171 -0.036122 -0.400888 -0.046442 -0.002993 0.001834 0.000443 -0.287060 0.440422 -0.490690 0.008014 0.007181 0.017067 0.441034 0.052708 -0.006801 0.008503 0.001546 -0.003095 0.005203 -0.008684 0.006208 -0.002007 -0.375935 0.045708 -0.002464 0.000843 0.008502 -0.003461 0.004352 0.011230 0.006444 -0.001279 -0.135792 -0.039041 0.087552 0.247366 0.045374 -0.051144 0.149441 0.003085 0.004217 -0.009681 0.213483 0.116533 0.226790 0.003415 -0.009722 -0.009025 0.139243 0.040087 0.344531 0.016473 0.009062 -0.003376 -0.143579 -0.142291 0.408582 -0.151870 0.073191 -0.151286 -0.001942 -0.002245 -0.009706 -0.008512 0.002447 0.019084 0.005955 0.002980 0.005510 0.009514 0.006118 0.002817 0.005360 -0.006545 -0.002092 0.153292 -0.017834 0.431709 0.080927 0.070055 -0.159841 -0.002531 -0.008291 0.001201 -0.008354 0.001599 -0.001437 -0.003435 0.004399 -0.010930 -0.095400 -0.143191 -0.056610 -0.022248 0.047925 0.140213 -0.004325 0.008647 0.012919 -0.003624 -0.005995 -0.003718 -0.015300 0.003238 0.009486 -0.001596 0.001591 0.010091 0.002288 -0.001219 -0.000393 0.036155 -0.008251 0.120784 0.001773 -0.000034 0.004035 0.005376 0.003308 -0.003968 0.087313 -0.081837 -0.647709 -0.122041 -0.052898 -0.147729 -0.006235 -0.002446 0.000712 0.071793 -0.050175 -0.139560 0.000925 -0.009314 0.008030 0.008657 -0.004354 -0.001459 0.122098 0.071717 0.043418 -0.177650 0.055384 -0.107569 -0.007565 -0.002081 0.005545 -0.003815 -0.000414 -0.001595 -0.012032 0.012992 -0.010895 0.172084 -0.362677 0.050619 0.004486 0.001485 0.004924 -0.432824 -0.497473 0.152249 0.001358 -0.003192 0.003944 -0.116942 -0.005931 0.258757 0.001867 0.003447 -0.006418 0.009629 -0.008833 0.027139 -0.026283 0.064734 -0.452682 0.009599 0.001183 0.006062 -0.038023 0.001746 0.083024 -0.230307 0.396450 -0.036787 0.004004 -0.012891 0.013085 0.464733 -0.454646 0.559935 -0.003657 -0.019334 0.025174 0.078387 -0.008143 -0.318867 -0.001328 -0.004784 -0.000990 -0.009997 0.008855 0.018769 0.039183 0.341093 -0.242120 -0.009978 0.004952 -0.012404 0.018338 -0.016588 0.016119 0.023144 0.386452 0.025487 -0.001674 0.004814 0.010008 0.276038 0.434823 0.361383 -0.000199 -0.005145 0.000919 -0.548831 0.024909 -0.580283 -0.004408 -0.002614 0.008604 -0.001758 -0.000470 0.012623 0.010496 -0.067839 -0.126812 -0.003033 0.002088 -0.000639 0.002719 0.026948 0.010175 -0.036697 -0.400692 -0.046238 -0.003090 0.013370 0.002613 -0.286917 0.440770 -0.489933 0.007427 0.013751 0.021493 0.441222 0.052984 -0.007004 0.007672 0.002658 -0.005020 0.003899 -0.003335 0.008057 -0.002147 -0.376013 0.045327 -0.003187 -0.002626 0.009233 -0.002852 0.004232 0.012584 -0.018315 0.008096 -0.029528 -0.036292 0.087795 0.248489 0.044884 -0.050641 0.152724 0.002120 0.005455 -0.016937 0.213721 0.116612 0.227143 -0.004339 0.041725 -0.015169 0.139410 0.040211 0.344685 0.049164 0.019112 -0.005064 -0.143586 -0.142424 0.408662 -0.152138 0.073347 -0.148052 0.001452 -0.007495 -0.022388 -0.013413 -0.000201 0.028116 0.007141 0.002938 -0.000645 0.016348 0.005857 0.003244 0.006729 -0.016116 -0.000144 0.151332 -0.017859 0.431660 0.080985 0.070169 -0.156648 -0.000520 -0.008691 0.001905 -0.008303 0.002246 -0.006963 -0.020327 0.006477 -0.016356 -0.095919 -0.143081 -0.052435 -0.024305 0.048304 0.144698 -0.006653 0.016663 0.011652 -0.007648 -0.006191 -0.005363 -0.014819 0.000853 0.009733 -0.002057 0.005629 0.011449 -0.001461 0.010263 0.000807 0.036733 -0.008328 0.123556 0.004318 -0.011301 0.001974 0.006131 0.006792 -0.005133 0.087268 -0.081697 -0.646228 -0.121767 -0.050128 -0.148133 -0.008183 -0.005714 -0.002267 0.072037 -0.051734 -0.133644 0.014524 -0.020993 0.008797 0.014341 -0.008731 0.002522 0.122224 0.071811 0.046646 -0.177701 0.052711 -0.107195 -0.011589 0.000289 0.006340 0.001790 -0.003030 -0.005279 -0.075126 0.012018 -0.021664 0.174600 -0.362057 0.052604 0.000778 0.008691 0.007238 -0.430354 -0.504790 0.161379 -0.006272 -0.006365 0.012384 -0.117000 -0.006298 0.258927 -0.000111 0.002521 -0.013088 -0.001469 -0.010841 0.028518 -0.026307 0.064558 -0.460769 0.014129 0.002609 -0.000982 0.008092 -0.020045 -0.034685 -0.233905 0.396293 -0.032057 0.002034 -0.022063 0.023557 0.464414 -0.454462 0.555433 -0.019465 -0.020477 0.028134 0.078802 -0.008835 -0.318117 -0.001327 -0.011206 -0.006815 -0.005377 0.002741 0.014904 0.039374 0.341183 -0.241671 -0.005740 -0.001134 -0.018381 0.059124 -0.022593 0.019759 0.022719 0.385547 0.028190 0.000068 -0.003755 0.013378 0.275228 0.442441 0.364857 0.001091 0.003669 0.001390 -0.549363 0.025308 -0.581412 -0.006087 0.002075 0.005099 -0.005068 -0.006322 0.013466 0.010461 -0.067668 -0.125757 -0.003187 0.000494 0.002548 0.002178 0.006710 0.017719 -0.036951 -0.399500 -0.043323 0.000278 0.028268 0.003104 -0.286464 0.441474 -0.486589 0.002504 0.014417 0.024532 0.442168 0.053625 -0.006122 0.010176 0.002537 -0.010019 0.004887 0.008167 0.009230 -0.002065 -0.376254 0.045642 -0.003853 -0.011468 0.010413 -0.000929 0.011790 0.007814 -0.015705 0.006951 -0.044595 -0.036925 0.087722 0.248934 0.046438 -0.049447 0.152438 0.002849 0.006809 -0.013284 0.213771 0.116503 0.227288 -0.002593 0.033584 -0.011660 0.139457 0.040210 0.344703 0.043978 0.017119 -0.004130 -0.143648 -0.142406 0.408720 -0.153316 0.072085 -0.148507 0.001158 -0.006030 -0.019653 -0.011097 -0.000693 0.026580 0.006973 0.003593 0.001673 0.014989 0.005609 0.005519 0.006650 -0.014833 -0.000438 0.151335 -0.017826 0.430711 0.080814 0.070046 -0.157108 -0.000812 -0.008627 0.002270 -0.008211 0.002259 -0.006070 -0.018339 0.006586 -0.015475 -0.095666 -0.142982 -0.052869 -0.024648 0.048629 0.143824 -0.005847 0.016396 0.011654 -0.008130 -0.006291 -0.004518 -0.014458 0.001074 0.010150 -0.001923 0.005436 0.012189 -0.001228 0.008856 0.000398 0.035268 -0.007519 0.122756 0.004025 -0.010423 0.001904 0.005389 0.006150 -0.005286 0.087265 -0.081662 -0.646227 -0.121831 -0.050816 -0.149180 -0.007553 -0.005612 0.000178 0.071877 -0.051396 -0.134356 0.013215 -0.019257 0.007963 0.012886 -0.007889 0.001962 0.123459 0.071235 0.046716 -0.177726 0.053389 -0.108468 -0.011198 -0.000138 0.006135 0.000495 -0.003188 -0.004256 -0.067080 0.012815 -0.021083 0.177591 -0.361005 0.052232 0.003085 0.008832 0.004391 -0.431038 -0.490941 0.159724 -0.003068 -0.006113 0.011549 -0.116908 -0.005942 0.258295 0.000453 0.003604 -0.013442 -0.000302 -0.011286 0.029035 -0.025886 0.064767 -0.463490 0.013850 0.002714 0.001636 0.001327 -0.016834 -0.017713 -0.235533 0.395870 -0.032089 -0.001416 -0.014943 0.023028 0.464507 -0.453951 0.555952 -0.019192 -0.021029 0.027050 0.078661 -0.008269 -0.318788 -0.002217 -0.010744 -0.008653 -0.005500 0.002342 0.016871 0.038613 0.341583 -0.242125 -0.006414 -0.000886 -0.018597 0.054795 -0.021455 0.019115 0.022232 0.384634 0.028155 0.001195 -0.003344 0.012914 0.275315 0.427984 0.364311 0.000652 0.003021 0.001032 -0.549426 0.025038 -0.581077 -0.006757 0.001010 0.004420 -0.005137 -0.005317 0.013647 0.010568 -0.067854 -0.126572 -0.003199 0.000263 0.003168 0.002212 0.007781 0.017398 -0.036352 -0.399619 -0.043782 0.000727 0.020697 0.002937 -0.285842 0.440855 -0.487427 0.003012 0.016204 0.023895 0.442026 0.053128 -0.006763 0.011031 0.001817 -0.010868 0.005238 0.007366 0.009561 -0.002125 -0.376479 0.045250 -0.003893 -0.010709 0.010108 -0.001241 0.011193 0.008208 -0.020385 0.008729 -0.027442 -0.036527 0.087891 0.249433 0.047190 -0.048713 0.152509 0.002657 0.005283 -0.011934 0.213760 0.116508 0.227408 -0.002850 0.032302 -0.011139 0.139505 0.040202 0.344801 0.037448 0.016369 -0.002535 -0.143667 -0.142461 0.408856 -0.153976 0.071450 -0.148349 0.002129 -0.005516 -0.017823 -0.010314 -0.000679 0.024798 0.006969 0.004150 0.002277 0.014060 0.003985 0.006861 0.006790 -0.013437 -0.000191 0.151503 -0.017779 0.429550 0.080671 0.070143 -0.156573 -0.000848 -0.008092 0.001978 -0.008369 0.002144 -0.005558 -0.017856 0.007089 -0.013995 -0.095586 -0.142840 -0.052343 -0.024827 0.048939 0.144542 -0.004900 0.016159 0.010443 -0.008051 -0.005744 -0.004447 -0.014544 0.000406 0.009394 -0.002003 0.005295 0.011534 -0.002055 0.008574 0.001365 0.034640 -0.006923 0.123002 0.003135 -0.009651 0.001723 0.005299 0.005441 -0.005135 0.087201 -0.081655 -0.646067 -0.121750 -0.050294 -0.150139 -0.006439 -0.004733 -0.000195 0.071822 -0.051425 -0.134546 0.011964 -0.016549 0.007058 0.012321 -0.006991 0.002269 0.124209 0.070882 0.047390 -0.177621 0.052860 -0.109321 -0.009460 0.000325 0.005903 0.000622 -0.002076 -0.004845 -0.057949 0.011354 -0.018543 0.182975 -0.360694 0.050072 0.003845 0.009187 0.007496 -0.430933 -0.485192 0.160148 -0.001539 -0.005410 0.012673 -0.116793 -0.005877 0.258505 0.001271 0.001293 -0.013592 -0.000061 -0.009707 0.027436 -0.026133 0.064752 -0.464560 0.015383 0.003364 0.001273 0.004967 -0.019433 -0.034925 -0.240376 0.395928 -0.031778 -0.002429 -0.012517 0.022394 0.464534 -0.453828 0.555413 -0.018183 -0.022913 0.026402 0.078590 -0.008291 -0.318552 -0.003729 -0.010720 -0.010417 -0.005832 0.001410 0.017754 0.038476 0.341463 -0.241733 -0.007141 -0.001301 -0.018274 0.050257 -0.021739 0.016674 0.022517 0.384259 0.028388 0.001483 -0.004494 0.012030 0.275259 0.421811 0.365792 0.001151 0.003185 0.001034 -0.549164 0.024973 -0.581074 -0.007194 0.003139 0.003550 -0.004878 -0.006558 0.013306 0.010554 -0.067751 -0.126039 -0.002898 -0.000465 0.002947 0.001724 0.008577 0.017037 -0.036698 -0.399550 -0.043604 0.000725 0.017779 0.002621 -0.285715 0.440780 -0.487266 0.002115 0.017467 0.022272 0.441747 0.053119 -0.006411 0.009872 0.001478 -0.011147 0.005360 0.006439 0.009541 -0.002090 -0.376241 0.045386 -0.003740 -0.010529 0.009356 -0.001201 0.011883 0.007899 -0.036276 0.014982 0.026365 -0.036389 0.087936 0.249204 0.046891 -0.048687 0.152130 0.004048 0.004485 -0.006064 0.213970 0.116592 0.227377 -0.004311 0.027930 -0.009197 0.139507 0.040357 0.344560 0.018503 0.011696 0.005116 -0.143565 -0.142494 0.408529 -0.153650 0.072050 -0.148789 0.002882 -0.005205 -0.013347 -0.008704 0.000506 0.020300 0.006386 0.004563 0.000559 0.009272 0.000179 0.003545 0.005790 -0.008084 -0.000201 0.150837 -0.017809 0.429624 0.080427 0.069996 -0.155707 0.000967 -0.005676 0.004429 -0.008649 0.000952 -0.005315 -0.015064 0.007787 -0.009889 -0.095485 -0.143026 -0.051611 -0.024888 0.049086 0.146359 -0.002810 0.013212 0.009519 -0.007319 -0.003822 -0.004870 -0.016047 -0.001147 0.009387 -0.002628 0.004194 0.008994 -0.003606 0.007408 0.002979 0.034981 -0.007381 0.124180 0.000213 -0.005575 0.000339 0.007097 0.002885 -0.003824 0.087283 -0.081552 -0.645989 -0.121685 -0.050110 -0.150037 -0.003284 -0.003932 -0.003293 0.072027 -0.051497 -0.135843 0.012166 -0.010555 0.006357 0.011813 -0.004808 0.002640 0.123898 0.071258 0.048442 -0.177777 0.052794 -0.109013 -0.004642 0.001751 0.002827 0.001834 -0.000443 -0.003121 -0.033768 0.008431 -0.010387 0.182363 -0.361180 0.051136 0.002284 0.006516 0.008319 -0.430744 -0.486470 0.161920 0.004046 -0.005084 0.010715 -0.116797 -0.005956 0.258263 -0.000802 0.002525 -0.012857 0.001795 -0.008853 0.022875 -0.025480 0.064742 -0.466840 0.014073 0.004212 0.004285 0.017015 -0.025636 -0.092002 -0.240170 0.396077 -0.031207 -0.003419 -0.012302 0.020862 0.465033 -0.454092 0.553892 -0.011753 -0.017996 0.024405 0.078692 -0.008371 -0.318882 -0.003840 -0.008892 -0.009766 -0.008343 0.001072 0.016630 0.038592 0.341577 -0.241902 -0.004754 -0.001350 -0.014812 0.033911 -0.019264 0.009009 0.022273 0.384840 0.028765 0.004282 -0.005496 0.007024 0.275582 0.423313 0.367691 0.003789 0.003432 0.003110 -0.549425 0.025188 -0.582940 -0.008249 0.001257 0.006276 -0.002046 -0.005267 0.011868 0.010568 -0.067568 -0.126312 -0.003488 -0.000513 0.003787 0.001259 0.005062 0.014583 -0.036622 -0.399435 -0.043366 0.000428 0.017029 0.003509 -0.285813 0.440986 -0.487114 -0.000823 0.014604 0.018693 0.442160 0.053349 -0.006569 0.006829 0.001130 -0.007419 0.004583 0.002432 0.007901 -0.002035 -0.376316 0.045252 -0.002375 -0.009764 0.007925 -0.002822 0.011237 0.006025 -0.066777 0.027643 0.132473 -0.035876 0.088059 0.249191 0.045952 -0.048517 0.151863 0.004400 -0.004143 0.000788 0.213924 0.116938 0.227594 -0.007533 0.020675 -0.002014 0.139420 0.040629 0.344601 -0.014510 0.007508 0.014278 -0.143577 -0.142357 0.408304 -0.153133 0.072850 -0.149369 0.005399 -0.004347 -0.004096 -0.006530 0.001746 0.012321 0.005064 0.006230 -0.001717 0.000603 -0.007236 -0.001089 0.003892 0.001766 0.000223 0.150348 -0.017694 0.429836 0.079698 0.070248 -0.153487 0.002999 0.000018 0.007199 -0.008593 -0.000112 -0.004471 -0.009705 0.008826 -0.002046 -0.095322 -0.142691 -0.049556 -0.024700 0.049296 0.150645 0.000953 0.007948 0.006212 -0.005905 0.000202 -0.005600 -0.020159 -0.004335 0.009336 -0.003467 0.002190 0.003407 -0.007011 0.004935 0.006784 0.035569 -0.007816 0.125160 -0.005287 0.001768 -0.001706 0.009661 -0.001546 -0.001580 0.087236 -0.081492 -0.645160 -0.121623 -0.049467 -0.149584 0.003848 -0.000876 -0.009525 0.072158 -0.051584 -0.138173 0.012045 0.001409 0.004910 0.010370 -0.001375 0.003339 0.122893 0.071901 0.050943 -0.177692 0.052487 -0.108202 0.004847 0.004841 -0.000214 0.003919 0.003923 -0.001763 0.013772 0.001579 0.005964 0.182828 -0.359062 0.051800 0.001045 0.002667 0.010481 -0.429981 -0.494045 0.166167 0.010764 -0.001188 0.009390 -0.117080 -0.006054 0.258529 -0.002947 0.003091 -0.010957 0.005739 -0.003371 0.010193 -0.025823 0.064703 -0.466977 0.015474 0.003615 0.005316 0.042244 -0.038092 -0.200984 -0.242068 0.397261 -0.029764 -0.006066 -0.008258 0.017291 0.465364 -0.455149 0.551124 0.002173 -0.007488 0.016188 0.078836 -0.008797 -0.318511 -0.005068 -0.005653 -0.009867 -0.008964 -0.001532 0.011214 0.039137 0.341689 -0.241413 0.000261 -0.002555 -0.006243 0.001902 -0.015420 -0.002394 0.021631 0.382958 0.030479 0.005970 -0.005889 -0.000953 0.273362 0.431365 0.371555 0.007816 0.003887 0.004980 -0.549949 0.025619 -0.581479 -0.010090 -0.001858 0.004207 -0.000140 -0.005005 0.007344 0.010356 -0.067180 -0.125741 -0.003829 -0.002605 0.004083 -0.000564 -0.002444 0.009843 -0.036875 -0.399651 -0.042307 0.000424 0.011393 0.003914 -0.283506 0.442036 -0.486454 -0.004699 0.007506 0.012748 0.442379 0.054064 -0.005871 0.000517 -0.000818 -0.001873 0.003694 -0.005344 0.005043 -0.002006 -0.376224 0.045468 0.001787 -0.006595 0.003476 -0.005618 0.008399 0.004936 -0.056274 0.022717 0.094183 -0.034864 0.088136 0.250420 0.047262 -0.047799 0.152293 0.004556 -0.004349 0.003044 0.214060 0.116698 0.228051 -0.006709 0.017448 -0.000789 0.139519 0.040633 0.344760 -0.017491 0.006147 0.016142 -0.143683 -0.142511 0.408504 -0.154206 0.072067 -0.148955 0.005781 -0.003863 -0.001836 -0.004983 0.001347 0.010115 0.004742 0.006377 -0.000771 -0.001599 -0.008449 -0.000535 0.003441 0.003706 0.000527 0.149102 -0.017689 0.429530 0.079562 0.070105 -0.152751 0.003482 0.001504 0.007434 -0.008398 -0.000450 -0.003590 -0.008332 0.008824 -0.000113 -0.095254 -0.142971 -0.048726 -0.025722 0.049556 0.151935 0.001591 0.007128 0.005565 -0.005618 0.000742 -0.004808 -0.019968 -0.004675 0.009925 -0.003350 0.001215 0.004058 -0.007540 0.004539 0.007958 0.034351 -0.007342 0.126477 -0.005911 0.003119 -0.002259 0.009916 -0.002075 -0.000912 0.087154 -0.081291 -0.644816 -0.121590 -0.048484 -0.150610 0.005307 0.000044 -0.008256 0.071882 -0.051556 -0.138340 0.011149 0.002880 0.004601 0.009391 -0.000823 0.003998 0.123919 0.071885 0.051918 -0.177836 0.051445 -0.109145 0.005898 0.004991 -0.000008 0.003491 0.004190 -0.000431 0.021987 0.001158 0.008353 0.185418 -0.359077 0.051591 -0.001445 0.002411 0.008914 -0.430142 -0.483621 0.166517 0.012186 0.000660 0.009126 -0.117198 -0.005946 0.258325 -0.002622 0.001983 -0.009301 0.005958 -0.000722 0.007840 -0.025395 0.064849 -0.474831 0.014369 0.004671 0.010578 0.030117 -0.031638 -0.163423 -0.243598 0.396673 -0.028919 -0.005850 -0.004082 0.015003 0.465604 -0.454796 0.550577 0.002406 -0.003618 0.011597 0.078947 -0.008406 -0.318641 -0.006626 -0.003943 -0.011454 -0.008573 -0.002434 0.009958 0.038228 0.341909 -0.241614 0.001596 -0.003333 -0.003080 -0.004748 -0.013397 -0.007000 0.021087 0.382904 0.031434 0.008315 -0.007917 -0.003169 0.274010 0.420660 0.372299 0.009051 0.003983 0.004554 -0.550114 0.025620 -0.582965 -0.010451 -0.001083 0.003321 0.001079 -0.005668 0.005498 0.010354 -0.067175 -0.125894 -0.004215 -0.003003 0.004865 -0.001009 -0.006144 0.008843 -0.036601 -0.399569 -0.041705 0.001051 0.005978 0.003747 -0.283873 0.441646 -0.486332 -0.005421 0.005573 0.010081 0.442538 0.053739 -0.006039 -0.000150 -0.001300 0.000112 0.002466 -0.006679 0.004298 -0.002007 -0.376348 0.045388 0.004254 -0.005825 0.004321 -0.007217 0.008193 0.003439 -0.023324 0.006906 -0.025115 -0.034724 0.088175 0.250404 0.046472 -0.047960 0.152002 0.006002 -0.006181 0.008291 0.214142 0.116663 0.227716 -0.005974 0.008354 -0.000834 0.139315 0.040601 0.344448 -0.029236 0.003907 0.021296 -0.143638 -0.142742 0.408212 -0.153914 0.072529 -0.149163 0.006191 -0.002584 0.004441 -0.004163 0.002306 0.006620 0.003750 0.005435 -0.002984 -0.004925 -0.010632 -0.003878 0.002758 0.007725 0.000775 0.148567 -0.017874 0.429815 0.079330 0.070255 -0.152030 0.003930 0.003812 0.008153 -0.007752 -0.000846 -0.003087 -0.004634 0.008806 0.004227 -0.095482 -0.143246 -0.047991 -0.025814 0.049875 0.153779 0.002600 0.003775 0.004338 -0.004169 0.001903 -0.004731 -0.021070 -0.005882 0.009423 -0.003621 -0.000164 0.001236 -0.008643 0.002660 0.009316 0.034941 -0.007940 0.127358 -0.008260 0.007655 -0.003815 0.010608 -0.003898 -0.000076 0.087080 -0.081344 -0.645010 -0.121646 -0.048404 -0.150773 0.006819 0.001363 -0.009727 0.072010 -0.051775 -0.139720 0.009298 0.008234 0.004312 0.008453 0.000733 0.003925 0.123722 0.072316 0.052374 -0.178152 0.051223 -0.108942 0.009001 0.007014 -0.001984 0.002928 0.004742 0.001456 0.047083 -0.002050 0.013971 0.184472 -0.358890 0.051090 -0.001494 0.001263 0.013859 -0.429923 -0.485232 0.167677 0.014312 0.001435 0.007125 -0.116768 -0.006239 0.257758 -0.003448 0.002344 -0.008462 0.010956 0.002893 0.002901 -0.024999 0.064771 -0.475877 0.014993 0.006255 0.012122 -0.007232 -0.014013 -0.044072 -0.243025 0.396895 -0.029163 -0.004799 -0.006500 0.012911 0.465557 -0.455635 0.548396 0.006347 -0.002396 0.011096 0.078337 -0.008761 -0.319052 -0.006720 -0.002367 -0.008740 -0.010881 -0.003463 0.006093 0.038241 0.341996 -0.242379 0.001921 -0.002883 -0.001403 -0.020234 -0.014701 -0.009548 0.021159 0.382550 0.031430 0.010024 -0.006965 -0.006452 0.273850 0.421852 0.374253 0.010425 0.003995 0.004920 -0.550178 0.025738 -0.584878 -0.009941 -0.002284 0.005393 0.002448 -0.006253 0.003698 0.010270 -0.067217 -0.126097 -0.004375 -0.004334 0.003495 -0.001125 -0.002176 0.009266 -0.037111 -0.399958 -0.041707 -0.000824 0.009032 0.005572 -0.283864 0.442020 -0.486598 -0.006956 0.004484 0.007143 0.442445 0.053919 -0.006183 -0.002940 -0.001780 0.002493 0.001352 -0.008714 0.003806 -0.002109 -0.376732 0.045061 0.005271 -0.004775 0.002026 -0.009294 0.007380 0.002998</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="H"
                           id="a1"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="9.4395"
                           zFract="0.42481998"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <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="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a55" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.1007"
                           xFract="0.2488981"
                           y3="2.11149"
                           yFract="0.25017654"
                           z3="9.40111"
                           zFract="0.42309226"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33701"
                           xFract="0.75083057"
                           y3="4.20581"
                           yFract="0.49831872"
                           z3="8.43244"
                           zFract="0.37949775"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.10839"
                           xFract="0.24980924"
                           y3="-0.0677"
                           yFract="-0.00802133"
                           z3="8.42959"
                           zFract="0.37936949"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="-0.0056"
                           xFract="-0.00066351"
                           y3="0.00511"
                           yFract="0.00060545"
                           z3="6.33894"
                           zFract="0.28528083"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11216"
                           xFract="0.25025592"
                           y3="6.32414"
                           yFract="0.74930569"
                           z3="6.33723"
                           zFract="0.28520387"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.10001"
                           xFract="0.24881635"
                           y3="2.10956"
                           yFract="0.24994787"
                           z3="6.28831"
                           zFract="0.28300225"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21621"
                           xFract="0.49955095"
                           y3="6.33345"
                           yFract="0.75040877"
                           z3="4.23478"
                           zFract="0.19058416"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22214"
                           xFract="0.50025355"
                           y3="2.1064"
                           yFract="0.24957346"
                           z3="4.21391"
                           zFract="0.18964491"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.21762"
                           xFract="0.49971801"
                           y3="4.22428"
                           yFract="0.50050711"
                           z3="6.33742"
                           zFract="0.28521242"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00251"
                           xFract="0.00029739"
                           y3="4.2108"
                           yFract="0.49890995"
                           z3="6.33219"
                           zFract="0.28497705"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00372"
                           xFract="0.00044076"
                           y3="6.33187"
                           yFract="0.75022156"
                           z3="4.23095"
                           zFract="0.19041179"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00906"
                           xFract="0.00107346"
                           y3="6.32498"
                           yFract="0.74940521"
                           z3="8.42079"
                           zFract="0.37897345"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22505"
                           xFract="0.50059834"
                           y3="-0.00219"
                           yFract="-0.00025948"
                           z3="6.33136"
                           zFract="0.28493969"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.00154"
                           xFract="0.00018246"
                           y3="2.1120"
                           yFract="0.25023697"
                           z3="4.22854"
                           zFract="0.19030333"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.06497"
                           xFract="-0.00769787"
                           y3="2.11587"
                           yFract="0.2506955"
                           z3="8.44627"
                           zFract="0.38012016"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.10421"
                           xFract="0.24931398"
                           y3="4.21365"
                           yFract="0.49924763"
                           z3="4.22287"
                           zFract="0.19004815"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33439"
                           xFract="0.75052014"
                           y3="0.00601"
                           yFract="0.00071209"
                           z3="4.2130"
                           zFract="0.18960396"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10417"
                           xFract="0.24930924"
                           y3="4.28272"
                           yFract="0.50743128"
                           z3="8.45305"
                           zFract="0.38042529"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33424"
                           xFract="0.75050237"
                           y3="2.10914"
                           yFract="0.2498981"
                           z3="6.34001"
                           zFract="0.28532898"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10533"
                           xFract="0.24944668"
                           y3="0.00523"
                           yFract="0.00061967"
                           z3="4.21484"
                           zFract="0.18968677"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.21139"
                           xFract="0.49897986"
                           y3="6.32615"
                           yFract="0.74954384"
                           z3="8.43839"
                           zFract="0.37976553"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32722"
                           xFract="0.74967062"
                           y3="6.33427"
                           yFract="0.75050592"
                           z3="6.33002"
                           zFract="0.28487939"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33701"
                           xFract="0.75083057"
                           y3="4.21085"
                           yFract="0.49891588"
                           z3="4.22098"
                           zFract="0.1899631"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33235"
                           xFract="0.75027844"
                           y3="0.01192"
                           yFract="0.00141232"
                           z3="8.4385"
                           zFract="0.37977048"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2963"
                           xFract="0.50904028"
                           y3="2.11378"
                           yFract="0.25044787"
                           z3="8.42027"
                           zFract="0.37895005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03461"
                           xFract="0.00410071"
                           y3="2.10389"
                           yFract="0.24927607"
                           z3="6.3031"
                           zFract="0.28366787"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.08399"
                           xFract="0.24691825"
                           y3="0.00829"
                           yFract="0.00098223"
                           z3="6.34717"
                           zFract="0.28565122"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00194"
                           xFract="0.00022986"
                           y3="-0.02339"
                           yFract="-0.00277133"
                           z3="4.22067"
                           zFract="0.18994914"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.0229"
                           xFract="0.00271327"
                           y3="-0.00196"
                           yFract="-0.00023223"
                           z3="8.43781"
                           zFract="0.37973942"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13409"
                           xFract="0.25285427"
                           y3="2.10565"
                           yFract="0.2494846"
                           z3="4.23809"
                           zFract="0.19073312"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13268"
                           xFract="0.2526872"
                           y3="2.09443"
                           yFract="0.24815521"
                           z3="8.53827"
                           zFract="0.38426058"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.17776"
                           xFract="0.49499526"
                           y3="2.13661"
                           yFract="0.25315284"
                           z3="6.31669"
                           zFract="0.28427948"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.35446"
                           xFract="0.7528981"
                           y3="-0.00549"
                           yFract="-0.00065047"
                           z3="6.32852"
                           zFract="0.28481188"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21502"
                           xFract="0.49940995"
                           y3="-0.00218"
                           yFract="-0.00025829"
                           z3="4.21236"
                           zFract="0.18957516"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19627"
                           xFract="0.49718839"
                           y3="0.01303"
                           yFract="0.00154384"
                           z3="8.46512"
                           zFract="0.3809685"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30766"
                           xFract="0.74735308"
                           y3="2.11271"
                           yFract="0.25032109"
                           z3="4.21921"
                           zFract="0.18988344"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30927"
                           xFract="0.74754384"
                           y3="2.12441"
                           yFract="0.25170735"
                           z3="8.45845"
                           zFract="0.38066832"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01312"
                           xFract="0.0015545"
                           y3="6.33125"
                           yFract="0.7501481"
                           z3="6.32912"
                           zFract="0.28483888"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.1111"
                           xFract="0.25013033"
                           y3="4.20687"
                           yFract="0.49844431"
                           z3="6.3093"
                           zFract="0.28394689"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00664"
                           xFract="-0.00078673"
                           y3="4.24458"
                           yFract="0.50291232"
                           z3="4.24033"
                           zFract="0.19083393"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.00293"
                           xFract="-0.00034716"
                           y3="4.22508"
                           yFract="0.5006019"
                           z3="8.44197"
                           zFract="0.37992664"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11018"
                           xFract="0.25002133"
                           y3="6.33455"
                           yFract="0.7505391"
                           z3="4.20948"
                           zFract="0.18944554"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.10379"
                           xFract="0.24926422"
                           y3="6.35056"
                           yFract="0.75243602"
                           z3="8.44807"
                           zFract="0.38020117"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20815"
                           xFract="0.49859597"
                           y3="6.30614"
                           yFract="0.74717299"
                           z3="6.31003"
                           zFract="0.28397975"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32903"
                           xFract="0.74988507"
                           y3="4.23001"
                           yFract="0.50118602"
                           z3="6.34509"
                           zFract="0.28555761"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22599"
                           xFract="0.50070972"
                           y3="4.22135"
                           yFract="0.50015995"
                           z3="4.22011"
                           zFract="0.18992394"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22332"
                           xFract="0.50039336"
                           y3="4.20775"
                           yFract="0.49854858"
                           z3="8.44898"
                           zFract="0.38024212"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32957"
                           xFract="0.74994905"
                           y3="6.3254"
                           yFract="0.74945498"
                           z3="4.19729"
                           zFract="0.18889694"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.33841"
                           xFract="0.75099645"
                           y3="6.31793"
                           yFract="0.74856991"
                           z3="8.4678"
                           zFract="0.38108911"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a55" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.10367"
                           xFract="0.24925"
                           y3="2.11101"
                           yFract="0.25011967"
                           z3="9.41337"
                           zFract="0.42364401"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33477"
                           xFract="0.75056517"
                           y3="4.21034"
                           yFract="0.49885545"
                           z3="8.43472"
                           zFract="0.37960036"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1089"
                           xFract="0.24986967"
                           y3="-0.04609"
                           yFract="-0.0054609"
                           z3="8.43279"
                           zFract="0.3795135"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="-0.00381"
                           xFract="-0.00045142"
                           y3="0.00348"
                           yFract="0.00041232"
                           z3="6.33596"
                           zFract="0.28514671"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11147"
                           xFract="0.25017417"
                           y3="6.32601"
                           yFract="0.74952725"
                           z3="6.33479"
                           zFract="0.28509406"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1032"
                           xFract="0.24919431"
                           y3="2.1097"
                           yFract="0.24996445"
                           z3="6.30149"
                           zFract="0.28359541"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21742"
                           xFract="0.49969431"
                           y3="6.33235"
                           yFract="0.75027844"
                           z3="4.2300"
                           zFract="0.19036904"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22146"
                           xFract="0.50017299"
                           y3="2.10755"
                           yFract="0.24970972"
                           z3="4.21579"
                           zFract="0.18972952"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.21838"
                           xFract="0.49980806"
                           y3="4.22291"
                           yFract="0.50034479"
                           z3="6.33492"
                           zFract="0.28509991"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00171"
                           xFract="0.00020261"
                           y3="4.21374"
                           yFract="0.49925829"
                           z3="6.33136"
                           zFract="0.28493969"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00253"
                           xFract="0.00029976"
                           y3="6.33128"
                           yFract="0.75015166"
                           z3="4.22739"
                           zFract="0.19025158"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00617"
                           xFract="0.00073104"
                           y3="6.32658"
                           yFract="0.74959479"
                           z3="8.42679"
                           zFract="0.37924347"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22344"
                           xFract="0.50040758"
                           y3="-0.00149"
                           yFract="-0.00017654"
                           z3="6.33079"
                           zFract="0.28491404"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.00105"
                           xFract="0.00012441"
                           y3="2.11136"
                           yFract="0.25016114"
                           z3="4.22575"
                           zFract="0.19017777"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.04423"
                           xFract="-0.00524052"
                           y3="2.1140"
                           yFract="0.25047393"
                           z3="8.44414"
                           zFract="0.3800243"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.10606"
                           xFract="0.24953318"
                           y3="4.21568"
                           yFract="0.49948815"
                           z3="4.22189"
                           zFract="0.19000405"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33299"
                           xFract="0.75035427"
                           y3="0.00409"
                           yFract="0.0004846"
                           z3="4.21517"
                           zFract="0.18970162"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10603"
                           xFract="0.24952962"
                           y3="4.2627"
                           yFract="0.50505924"
                           z3="8.44876"
                           zFract="0.38023222"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33289"
                           xFract="0.75034242"
                           y3="2.10942"
                           yFract="0.24993128"
                           z3="6.33668"
                           zFract="0.28517912"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10682"
                           xFract="0.24962322"
                           y3="0.00356"
                           yFract="0.0004218"
                           z3="4.21642"
                           zFract="0.18975788"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.21414"
                           xFract="0.49930569"
                           y3="6.32738"
                           yFract="0.74968957"
                           z3="8.43877"
                           zFract="0.37978263"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.3281"
                           xFract="0.74977488"
                           y3="6.3329"
                           yFract="0.7503436"
                           z3="6.32989"
                           zFract="0.28487354"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33477"
                           xFract="0.75056517"
                           y3="4.21377"
                           yFract="0.49926185"
                           z3="4.2206"
                           zFract="0.18994599"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3316"
                           xFract="0.75018957"
                           y3="0.00811"
                           yFract="0.0009609"
                           z3="8.43885"
                           zFract="0.37978623"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.27194"
                           xFract="0.50615403"
                           y3="2.11258"
                           yFract="0.25030569"
                           z3="8.42644"
                           zFract="0.37922772"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02356"
                           xFract="0.00279147"
                           y3="2.10584"
                           yFract="0.24950711"
                           z3="6.31155"
                           zFract="0.28404815"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.0923"
                           xFract="0.24790284"
                           y3="0.00564"
                           yFract="0.00066825"
                           z3="6.34155"
                           zFract="0.28539829"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00132"
                           xFract="0.0001564"
                           y3="-0.01592"
                           yFract="-0.00188626"
                           z3="4.22039"
                           zFract="0.18993654"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01559"
                           xFract="0.00184716"
                           y3="-0.00133"
                           yFract="-0.00015758"
                           z3="8.43838"
                           zFract="0.37976508"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1264"
                           xFract="0.25194313"
                           y3="2.10704"
                           yFract="0.24964929"
                           z3="4.23225"
                           zFract="0.1904703"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12544"
                           xFract="0.25182938"
                           y3="2.0994"
                           yFract="0.24874408"
                           z3="8.50677"
                           zFract="0.38284293"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19125"
                           xFract="0.4965936"
                           y3="2.12811"
                           yFract="0.25214573"
                           z3="6.32081"
                           zFract="0.2844649"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34665"
                           xFract="0.75197275"
                           y3="-0.00374"
                           yFract="-0.00044313"
                           z3="6.32886"
                           zFract="0.28482718"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21661"
                           xFract="0.49959834"
                           y3="-0.00148"
                           yFract="-0.00017536"
                           z3="4.21473"
                           zFract="0.18968182"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20385"
                           xFract="0.49808649"
                           y3="0.00887"
                           yFract="0.00105095"
                           z3="8.45697"
                           zFract="0.38060171"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31479"
                           xFract="0.74819787"
                           y3="2.11185"
                           yFract="0.25021919"
                           z3="4.2194"
                           zFract="0.18989199"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.31589"
                           xFract="0.7483282"
                           y3="2.11981"
                           yFract="0.25116232"
                           z3="8.45243"
                           zFract="0.38039739"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00893"
                           xFract="0.00105806"
                           y3="6.33085"
                           yFract="0.75010071"
                           z3="6.32927"
                           zFract="0.28484563"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.11075"
                           xFract="0.25008886"
                           y3="4.21106"
                           yFract="0.49894076"
                           z3="6.31578"
                           zFract="0.28423852"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00452"
                           xFract="-0.00053555"
                           y3="4.23673"
                           yFract="0.50198223"
                           z3="4.23377"
                           zFract="0.1905387"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.00199"
                           xFract="-0.00023578"
                           y3="4.22346"
                           yFract="0.50040995"
                           z3="8.44121"
                           zFract="0.37989244"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11012"
                           xFract="0.25001422"
                           y3="6.3331"
                           yFract="0.7503673"
                           z3="4.21277"
                           zFract="0.18959361"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.10577"
                           xFract="0.24949882"
                           y3="6.3440"
                           yFract="0.75165877"
                           z3="8.44537"
                           zFract="0.38007966"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21193"
                           xFract="0.49904384"
                           y3="6.31376"
                           yFract="0.74807583"
                           z3="6.31628"
                           zFract="0.28426103"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32934"
                           xFract="0.7499218"
                           y3="4.22681"
                           yFract="0.50080687"
                           z3="6.34014"
                           zFract="0.28533483"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22408"
                           xFract="0.50048341"
                           y3="4.22092"
                           yFract="0.500109"
                           z3="4.22001"
                           zFract="0.18991944"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22226"
                           xFract="0.50026777"
                           y3="4.21166"
                           yFract="0.49901185"
                           z3="8.44598"
                           zFract="0.38010711"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32971"
                           xFract="0.74996564"
                           y3="6.32687"
                           yFract="0.74962915"
                           z3="4.20448"
                           zFract="0.18922052"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.33572"
                           xFract="0.75067773"
                           y3="6.32179"
                           yFract="0.74902725"
                           z3="8.4588"
                           zFract="0.38068407"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a55" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.09793"
                           xFract="0.24856991"
                           y3="2.11226"
                           yFract="0.25026777"
                           z3="9.44392"
                           zFract="0.4250189"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33826"
                           xFract="0.75097867"
                           y3="4.20471"
                           yFract="0.49818839"
                           z3="8.43161"
                           zFract="0.3794604"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.10843"
                           xFract="0.24981398"
                           y3="-0.07715"
                           yFract="-0.009141"
                           z3="8.4280"
                           zFract="0.37929793"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="-0.00589"
                           xFract="-0.00069787"
                           y3="0.0060"
                           yFract="0.0007109"
                           z3="6.34057"
                           zFract="0.28535419"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11237"
                           xFract="0.25028081"
                           y3="6.3228"
                           yFract="0.74914692"
                           z3="6.33725"
                           zFract="0.28520477"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09892"
                           xFract="0.2486872"
                           y3="2.10955"
                           yFract="0.24994668"
                           z3="6.28389"
                           zFract="0.28280333"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2155"
                           xFract="0.49946682"
                           y3="6.33384"
                           yFract="0.75045498"
                           z3="4.2370"
                           zFract="0.19068407"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22258"
                           xFract="0.50030569"
                           y3="2.10601"
                           yFract="0.24952725"
                           z3="4.21335"
                           zFract="0.18961971"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.21677"
                           xFract="0.4996173"
                           y3="4.22431"
                           yFract="0.50051066"
                           z3="6.33872"
                           zFract="0.28527093"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00318"
                           xFract="0.00037678"
                           y3="4.20899"
                           yFract="0.4986955"
                           z3="6.33276"
                           zFract="0.2850027"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00443"
                           xFract="0.00052488"
                           y3="6.33216"
                           yFract="0.75025592"
                           z3="4.23305"
                           zFract="0.1905063"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00946"
                           xFract="0.00112085"
                           y3="6.32408"
                           yFract="0.74929858"
                           z3="8.41717"
                           zFract="0.37881053"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22557"
                           xFract="0.50065995"
                           y3="-0.00189"
                           yFract="-0.00022393"
                           z3="6.3319"
                           zFract="0.284964"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.0019"
                           xFract="0.00022512"
                           y3="2.11245"
                           yFract="0.25029028"
                           z3="4.22957"
                           zFract="0.19034968"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.07499"
                           xFract="-0.00888507"
                           y3="2.11731"
                           yFract="0.25086611"
                           z3="8.44718"
                           zFract="0.38016112"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.10337"
                           xFract="0.24921445"
                           y3="4.21262"
                           yFract="0.49912559"
                           z3="4.2232"
                           zFract="0.19006301"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3352"
                           xFract="0.75061611"
                           y3="0.00701"
                           yFract="0.00083057"
                           z3="4.21154"
                           zFract="0.18953825"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10331"
                           xFract="0.24920735"
                           y3="4.29197"
                           yFract="0.50852725"
                           z3="8.45536"
                           zFract="0.38052925"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33446"
                           xFract="0.75052844"
                           y3="2.10921"
                           yFract="0.2499064"
                           z3="6.34083"
                           zFract="0.28536589"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.1044"
                           xFract="0.24933649"
                           y3="0.00596"
                           yFract="0.00070616"
                           z3="4.21415"
                           zFract="0.18965572"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.21142"
                           xFract="0.49898341"
                           y3="6.32532"
                           yFract="0.7494455"
                           z3="8.43798"
                           zFract="0.37974707"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.3267"
                           xFract="0.749609"
                           y3="6.33487"
                           yFract="0.75057701"
                           z3="6.33018"
                           zFract="0.28488659"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33808"
                           xFract="0.75095735"
                           y3="4.20928"
                           yFract="0.49872986"
                           z3="4.22152"
                           zFract="0.1899874"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33271"
                           xFract="0.75032109"
                           y3="0.01264"
                           yFract="0.00149763"
                           z3="8.43842"
                           zFract="0.37976688"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.30627"
                           xFract="0.51022156"
                           y3="2.11464"
                           yFract="0.25054976"
                           z3="8.41625"
                           zFract="0.37876913"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.04057"
                           xFract="0.00480687"
                           y3="2.10286"
                           yFract="0.24915403"
                           z3="6.29818"
                           zFract="0.28344644"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.07883"
                           xFract="0.24630687"
                           y3="0.00925"
                           yFract="0.00109597"
                           z3="6.35079"
                           zFract="0.28581413"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00238"
                           xFract="0.00028199"
                           y3="-0.02777"
                           yFract="-0.00329028"
                           z3="4.22087"
                           zFract="0.18995815"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02684"
                           xFract="0.00318009"
                           y3="-0.00219"
                           yFract="-0.00025948"
                           z3="8.43731"
                           zFract="0.37971692"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13847"
                           xFract="0.25337322"
                           y3="2.10447"
                           yFract="0.24934479"
                           z3="4.24005"
                           zFract="0.19082133"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13816"
                           xFract="0.25333649"
                           y3="2.09083"
                           yFract="0.24772867"
                           z3="8.50595"
                           zFract="0.38280603"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.17031"
                           xFract="0.49411256"
                           y3="2.14126"
                           yFract="0.25370379"
                           z3="6.31449"
                           zFract="0.28418047"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.35924"
                           xFract="0.75346445"
                           y3="-0.00661"
                           yFract="-0.00078318"
                           z3="6.32887"
                           zFract="0.28482763"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21412"
                           xFract="0.49930332"
                           y3="-0.00272"
                           yFract="-0.00032227"
                           z3="4.21145"
                           zFract="0.1895342"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19248"
                           xFract="0.49673934"
                           y3="0.01416"
                           yFract="0.00167773"
                           z3="8.46969"
                           zFract="0.38117417"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30351"
                           xFract="0.74686137"
                           y3="2.1130"
                           yFract="0.25035545"
                           z3="4.21932"
                           zFract="0.18988839"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30642"
                           xFract="0.74720616"
                           y3="2.12632"
                           yFract="0.25193365"
                           z3="8.46275"
                           zFract="0.38086184"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01547"
                           xFract="0.00183294"
                           y3="6.33147"
                           yFract="0.75017417"
                           z3="6.32943"
                           zFract="0.28485284"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.11083"
                           xFract="0.25009834"
                           y3="4.20521"
                           yFract="0.49824763"
                           z3="6.3061"
                           zFract="0.28380288"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00802"
                           xFract="-0.00095024"
                           y3="4.24921"
                           yFract="0.5034609"
                           z3="4.2444"
                           zFract="0.1910171"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.00294"
                           xFract="-0.00034834"
                           y3="4.22592"
                           yFract="0.50070142"
                           z3="8.44226"
                           zFract="0.37993969"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11031"
                           xFract="0.25003673"
                           y3="6.33553"
                           yFract="0.75065521"
                           z3="4.20796"
                           zFract="0.18937714"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.10271"
                           xFract="0.24913626"
                           y3="6.35412"
                           yFract="0.75285782"
                           z3="8.4500"
                           zFract="0.38028803"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20604"
                           xFract="0.49834597"
                           y3="6.30178"
                           yFract="0.7466564"
                           z3="6.30738"
                           zFract="0.28386049"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32916"
                           xFract="0.74990047"
                           y3="4.23189"
                           yFract="0.50140877"
                           z3="6.34832"
                           zFract="0.28570297"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22715"
                           xFract="0.50084716"
                           y3="4.2218"
                           yFract="0.50021327"
                           z3="4.21958"
                           zFract="0.18990009"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22368"
                           xFract="0.50043602"
                           y3="4.20683"
                           yFract="0.49843957"
                           z3="8.45093"
                           zFract="0.38032988"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32941"
                           xFract="0.74993009"
                           y3="6.32484"
                           yFract="0.74938863"
                           z3="4.19379"
                           zFract="0.18873942"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.33955"
                           xFract="0.75113152"
                           y3="6.3162"
                           yFract="0.74836493"
                           z3="8.4729"
                           zFract="0.38131863"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a55" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a53" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.09109"
                           xFract="0.24775948"
                           y3="2.11374"
                           yFract="0.25044313"
                           z3="9.4803"
                           zFract="0.42665617"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34241"
                           xFract="0.75147038"
                           y3="4.1980"
                           yFract="0.49739336"
                           z3="8.42791"
                           zFract="0.37929388"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.10786"
                           xFract="0.24974645"
                           y3="-0.11415"
                           yFract="-0.01352488"
                           z3="8.42231"
                           zFract="0.37904185"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="-0.00836"
                           xFract="-0.00099052"
                           y3="0.00899"
                           yFract="0.00106517"
                           z3="6.34606"
                           zFract="0.28560126"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11344"
                           xFract="0.25040758"
                           y3="6.31897"
                           yFract="0.74869313"
                           z3="6.34017"
                           zFract="0.28533618"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09383"
                           xFract="0.24808412"
                           y3="2.10937"
                           yFract="0.24992536"
                           z3="6.26294"
                           zFract="0.28186049"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21322"
                           xFract="0.49919668"
                           y3="6.33561"
                           yFract="0.75066469"
                           z3="4.24533"
                           zFract="0.19105896"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22391"
                           xFract="0.50046327"
                           y3="2.10417"
                           yFract="0.24930924"
                           z3="4.21043"
                           zFract="0.1894883"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.21484"
                           xFract="0.49938863"
                           y3="4.22597"
                           yFract="0.50070735"
                           z3="6.34325"
                           zFract="0.2854748"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00494"
                           xFract="0.00058531"
                           y3="4.20334"
                           yFract="0.49802607"
                           z3="6.33444"
                           zFract="0.28507831"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00668"
                           xFract="0.00079147"
                           y3="6.33321"
                           yFract="0.75038033"
                           z3="4.2398"
                           zFract="0.19081008"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.01338"
                           xFract="0.00158531"
                           y3="6.32111"
                           yFract="0.74894668"
                           z3="8.4057"
                           zFract="0.37829433"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22811"
                           xFract="0.5009609"
                           y3="-0.00237"
                           yFract="-0.00028081"
                           z3="6.33321"
                           zFract="0.28502295"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.00292"
                           xFract="0.00034597"
                           y3="2.11374"
                           yFract="0.25044313"
                           z3="4.23411"
                           zFract="0.19055401"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.11163"
                           xFract="-0.0132263"
                           y3="2.12125"
                           yFract="0.25133294"
                           z3="8.45079"
                           zFract="0.38032358"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.10016"
                           xFract="0.24883412"
                           y3="4.20899"
                           yFract="0.4986955"
                           z3="4.22476"
                           zFract="0.19013321"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33783"
                           xFract="0.75092773"
                           y3="0.0105"
                           yFract="0.00124408"
                           z3="4.20722"
                           zFract="0.18934383"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10007"
                           xFract="0.24882346"
                           y3="4.32683"
                           yFract="0.51265758"
                           z3="8.46322"
                           zFract="0.38088299"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33634"
                           xFract="0.75075118"
                           y3="2.10896"
                           yFract="0.24987678"
                           z3="6.34576"
                           zFract="0.28558776"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10151"
                           xFract="0.24899408"
                           y3="0.00881"
                           yFract="0.00104384"
                           z3="4.21145"
                           zFract="0.1895342"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.20819"
                           xFract="0.49860071"
                           y3="6.32286"
                           yFract="0.74915403"
                           z3="8.43704"
                           zFract="0.37970477"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32502"
                           xFract="0.74940995"
                           y3="6.33722"
                           yFract="0.75085545"
                           z3="6.33054"
                           zFract="0.28490279"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.34203"
                           xFract="0.75142536"
                           y3="4.20394"
                           yFract="0.49809716"
                           z3="4.22261"
                           zFract="0.19003645"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33402"
                           xFract="0.7504763"
                           y3="0.01803"
                           yFract="0.00213626"
                           z3="8.4379"
                           zFract="0.37974347"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.34716"
                           xFract="0.51506635"
                           y3="2.1171"
                           yFract="0.25084123"
                           z3="8.40411"
                           zFract="0.37822277"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06083"
                           xFract="0.00720735"
                           y3="2.09932"
                           yFract="0.2487346"
                           z3="6.28225"
                           zFract="0.28272952"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.06279"
                           xFract="0.2444064"
                           y3="0.01354"
                           yFract="0.00160427"
                           z3="6.36178"
                           zFract="0.28630873"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00363"
                           xFract="0.00043009"
                           y3="-0.04187"
                           yFract="-0.0049609"
                           z3="4.22145"
                           zFract="0.18998425"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.04024"
                           xFract="0.00476777"
                           y3="-0.00322"
                           yFract="-0.00038152"
                           z3="8.43604"
                           zFract="0.37965977"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.15285"
                           xFract="0.25507701"
                           y3="2.10141"
                           yFract="0.24898223"
                           z3="4.24933"
                           zFract="0.19123897"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.15331"
                           xFract="0.25513152"
                           y3="2.08062"
                           yFract="0.24651896"
                           z3="8.50497"
                           zFract="0.38276193"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14537"
                           xFract="0.49115758"
                           y3="2.15691"
                           yFract="0.25555806"
                           z3="6.30696"
                           zFract="0.28384158"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.37423"
                           xFract="0.75524052"
                           y3="-0.01004"
                           yFract="-0.00118957"
                           z3="6.32888"
                           zFract="0.28482808"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21116"
                           xFract="0.49895261"
                           y3="-0.00418"
                           yFract="-0.00049526"
                           z3="4.20754"
                           zFract="0.18935824"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.17894"
                           xFract="0.49513507"
                           y3="0.02046"
                           yFract="0.00242417"
                           z3="8.48484"
                           zFract="0.38185599"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29007"
                           xFract="0.74526896"
                           y3="2.11438"
                           yFract="0.25051896"
                           z3="4.21922"
                           zFract="0.18988389"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29515"
                           xFract="0.74587085"
                           y3="2.13407"
                           yFract="0.2528519"
                           z3="8.47505"
                           zFract="0.38141539"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02325"
                           xFract="0.00275474"
                           y3="6.33222"
                           yFract="0.75026303"
                           z3="6.32961"
                           zFract="0.28486094"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.11094"
                           xFract="0.25011137"
                           y3="4.19823"
                           yFract="0.49742062"
                           z3="6.29457"
                           zFract="0.28328398"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.0122"
                           xFract="-0.0014455"
                           y3="4.26407"
                           yFract="0.50522156"
                           z3="4.25705"
                           zFract="0.19158641"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.00407"
                           xFract="-0.00048223"
                           y3="4.22885"
                           yFract="0.50104858"
                           z3="8.4435"
                           zFract="0.3799955"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11052"
                           xFract="0.25006161"
                           y3="6.33843"
                           yFract="0.75099882"
                           z3="4.20223"
                           zFract="0.18911926"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.09905"
                           xFract="0.24870261"
                           y3="6.36617"
                           yFract="0.75428555"
                           z3="8.45551"
                           zFract="0.380536"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19902"
                           xFract="0.49751422"
                           y3="6.28752"
                           yFract="0.74496682"
                           z3="6.29678"
                           zFract="0.28338344"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32895"
                           xFract="0.74987559"
                           y3="4.23794"
                           yFract="0.50212559"
                           z3="6.35806"
                           zFract="0.28614131"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2308"
                           xFract="0.50127962"
                           y3="4.22285"
                           yFract="0.50033768"
                           z3="4.21908"
                           zFract="0.18987759"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22536"
                           xFract="0.50063507"
                           y3="4.20108"
                           yFract="0.49775829"
                           z3="8.45682"
                           zFract="0.38059496"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32905"
                           xFract="0.74988744"
                           y3="6.32242"
                           yFract="0.7491019"
                           z3="4.18106"
                           zFract="0.18816652"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34411"
                           xFract="0.7516718"
                           y3="6.30955"
                           yFract="0.74757701"
                           z3="8.48969"
                           zFract="0.38207426"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a55" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.08905"
                           xFract="0.24751777"
                           y3="2.11383"
                           yFract="0.25045379"
                           z3="9.48472"
                           zFract="0.42685509"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3433"
                           xFract="0.75157583"
                           y3="4.20066"
                           yFract="0.49770853"
                           z3="8.42846"
                           zFract="0.37931863"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.10873"
                           xFract="0.24984953"
                           y3="-0.11393"
                           yFract="-0.01349882"
                           z3="8.42206"
                           zFract="0.3790306"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="-0.00653"
                           xFract="-0.0007737"
                           y3="0.00979"
                           yFract="0.00115995"
                           z3="6.34739"
                           zFract="0.28566112"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11316"
                           xFract="0.25037441"
                           y3="6.31705"
                           yFract="0.74846564"
                           z3="6.33734"
                           zFract="0.28520882"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09456"
                           xFract="0.24817062"
                           y3="2.1095"
                           yFract="0.24994076"
                           z3="6.2635"
                           zFract="0.28188569"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21265"
                           xFract="0.49912915"
                           y3="6.33534"
                           yFract="0.7506327"
                           z3="4.24566"
                           zFract="0.19107381"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22422"
                           xFract="0.5005"
                           y3="2.10455"
                           yFract="0.24935427"
                           z3="4.21099"
                           zFract="0.1895135"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.21308"
                           xFract="0.49918009"
                           y3="4.22418"
                           yFract="0.50049526"
                           z3="6.34411"
                           zFract="0.2855135"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00612"
                           xFract="0.00072512"
                           y3="4.20132"
                           yFract="0.49778673"
                           z3="6.33521"
                           zFract="0.28511296"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00725"
                           xFract="0.000859"
                           y3="6.33322"
                           yFract="0.75038152"
                           z3="4.24169"
                           zFract="0.19089514"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.01086"
                           xFract="0.00128673"
                           y3="6.32042"
                           yFract="0.74886493"
                           z3="8.40224"
                           zFract="0.37813861"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22765"
                           xFract="0.5009064"
                           y3="-0.00056"
                           yFract="-0.00006635"
                           z3="6.33433"
                           zFract="0.28507336"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.00347"
                           xFract="0.00041114"
                           y3="2.11425"
                           yFract="0.25050355"
                           z3="4.23383"
                           zFract="0.1905414"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.11722"
                           xFract="-0.01388863"
                           y3="2.12308"
                           yFract="0.25154976"
                           z3="8.45151"
                           zFract="0.38035599"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.09982"
                           xFract="0.24879384"
                           y3="4.20836"
                           yFract="0.49862085"
                           z3="4.2246"
                           zFract="0.19012601"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33853"
                           xFract="0.75101066"
                           y3="0.01115"
                           yFract="0.00132109"
                           z3="4.20549"
                           zFract="0.18926598"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09985"
                           xFract="0.24879739"
                           y3="4.33087"
                           yFract="0.51313626"
                           z3="8.46547"
                           zFract="0.38098425"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33569"
                           xFract="0.75067417"
                           y3="2.10942"
                           yFract="0.24993128"
                           z3="6.34409"
                           zFract="0.2855126"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10058"
                           xFract="0.24888389"
                           y3="0.00895"
                           yFract="0.00106043"
                           z3="4.21145"
                           zFract="0.1895342"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.21158"
                           xFract="0.49900237"
                           y3="6.32167"
                           yFract="0.74901303"
                           z3="8.43657"
                           zFract="0.37968362"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32451"
                           xFract="0.74934953"
                           y3="6.3373"
                           yFract="0.75086493"
                           z3="6.33075"
                           zFract="0.28491224"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.34257"
                           xFract="0.75148934"
                           y3="4.20295"
                           yFract="0.49797986"
                           z3="4.22377"
                           zFract="0.19008866"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33426"
                           xFract="0.75050474"
                           y3="0.01561"
                           yFract="0.00184953"
                           z3="8.43829"
                           zFract="0.37976103"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.34517"
                           xFract="0.51483057"
                           y3="2.11794"
                           yFract="0.25094076"
                           z3="8.39924"
                           zFract="0.3780036"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06423"
                           xFract="0.00761019"
                           y3="2.09837"
                           yFract="0.24862204"
                           z3="6.27715"
                           zFract="0.2825"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.05696"
                           xFract="0.24371564"
                           y3="0.01251"
                           yFract="0.00148223"
                           z3="6.36475"
                           zFract="0.28644239"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00411"
                           xFract="0.00048697"
                           y3="-0.04583"
                           yFract="-0.00543009"
                           z3="4.22175"
                           zFract="0.18999775"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.04294"
                           xFract="0.00508768"
                           y3="-0.00344"
                           yFract="-0.00040758"
                           z3="8.43512"
                           zFract="0.37961836"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.15678"
                           xFract="0.25554265"
                           y3="2.09947"
                           yFract="0.24875237"
                           z3="4.24688"
                           zFract="0.19112871"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.15788"
                           xFract="0.25567299"
                           y3="2.0771"
                           yFract="0.2461019"
                           z3="8.51332"
                           zFract="0.38313771"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14042"
                           xFract="0.49057109"
                           y3="2.16016"
                           yFract="0.25594313"
                           z3="6.30502"
                           zFract="0.28375428"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.37943"
                           xFract="0.75585664"
                           y3="-0.01133"
                           yFract="-0.00134242"
                           z3="6.33068"
                           zFract="0.28490909"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21053"
                           xFract="0.49887796"
                           y3="-0.00499"
                           yFract="-0.00059123"
                           z3="4.20811"
                           zFract="0.18938389"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.17675"
                           xFract="0.49487559"
                           y3="0.01838"
                           yFract="0.00217773"
                           z3="8.48835"
                           zFract="0.38201395"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28637"
                           xFract="0.74483057"
                           y3="2.11424"
                           yFract="0.25050237"
                           z3="4.2197"
                           zFract="0.18990549"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29737"
                           xFract="0.74613389"
                           y3="2.13414"
                           yFract="0.25286019"
                           z3="8.48117"
                           zFract="0.38169082"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02522"
                           xFract="0.00298815"
                           y3="6.33257"
                           yFract="0.7503045"
                           z3="6.33093"
                           zFract="0.28492034"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10966"
                           xFract="0.24995972"
                           y3="4.19925"
                           yFract="0.49754147"
                           z3="6.29221"
                           zFract="0.28317777"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.0139"
                           xFract="-0.00164692"
                           y3="4.26833"
                           yFract="0.5057263"
                           z3="4.26104"
                           zFract="0.19176598"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.00307"
                           xFract="-0.00036374"
                           y3="4.22972"
                           yFract="0.50115166"
                           z3="8.44353"
                           zFract="0.37999685"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11082"
                           xFract="0.25009716"
                           y3="6.33953"
                           yFract="0.75112915"
                           z3="4.20142"
                           zFract="0.18908281"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.09817"
                           xFract="0.24859834"
                           y3="6.36689"
                           yFract="0.75437085"
                           z3="8.45814"
                           zFract="0.38065437"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19725"
                           xFract="0.4973045"
                           y3="6.28408"
                           yFract="0.74455924"
                           z3="6.29668"
                           zFract="0.28337894"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32964"
                           xFract="0.74995735"
                           y3="4.23978"
                           yFract="0.5023436"
                           z3="6.36162"
                           zFract="0.28630153"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23206"
                           xFract="0.50142891"
                           y3="4.22367"
                           yFract="0.50043483"
                           z3="4.21724"
                           zFract="0.18979478"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2253"
                           xFract="0.50062796"
                           y3="4.20361"
                           yFract="0.49805806"
                           z3="8.45908"
                           zFract="0.38069667"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32867"
                           xFract="0.74984242"
                           y3="6.32238"
                           yFract="0.74909716"
                           z3="4.17967"
                           zFract="0.18810396"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34462"
                           xFract="0.75173223"
                           y3="6.3090"
                           yFract="0.74751185"
                           z3="8.49426"
                           zFract="0.38227993"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a55" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a45" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.08291"
                           xFract="0.24679028"
                           y3="2.11412"
                           yFract="0.25048815"
                           z3="9.49797"
                           zFract="0.4274514"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34597"
                           xFract="0.75189218"
                           y3="4.20862"
                           yFract="0.49865166"
                           z3="8.43011"
                           zFract="0.37939289"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11134"
                           xFract="0.25015877"
                           y3="-0.11327"
                           yFract="-0.01342062"
                           z3="8.4213"
                           zFract="0.3789964"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="-0.00105"
                           xFract="-0.00012441"
                           y3="0.01218"
                           yFract="0.00144313"
                           z3="6.35139"
                           zFract="0.28584113"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11231"
                           xFract="0.2502737"
                           y3="6.31129"
                           yFract="0.74778318"
                           z3="6.32885"
                           zFract="0.28482673"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09677"
                           xFract="0.24843246"
                           y3="2.10987"
                           yFract="0.2499846"
                           z3="6.26518"
                           zFract="0.2819613"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21094"
                           xFract="0.49892654"
                           y3="6.33452"
                           yFract="0.75053555"
                           z3="4.24664"
                           zFract="0.19111791"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22516"
                           xFract="0.50061137"
                           y3="2.10569"
                           yFract="0.24948934"
                           z3="4.21264"
                           zFract="0.18958776"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.20779"
                           xFract="0.49855332"
                           y3="4.21881"
                           yFract="0.499859"
                           z3="6.34669"
                           zFract="0.28562961"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00966"
                           xFract="0.00114455"
                           y3="4.19528"
                           yFract="0.49707109"
                           z3="6.33751"
                           zFract="0.28521647"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00897"
                           xFract="0.0010628"
                           y3="6.33324"
                           yFract="0.75038389"
                           z3="4.24736"
                           zFract="0.19115032"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00332"
                           xFract="0.00039336"
                           y3="6.31834"
                           yFract="0.74861848"
                           z3="8.39186"
                           zFract="0.37767147"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22626"
                           xFract="0.50074171"
                           y3="0.00487"
                           yFract="0.00057701"
                           z3="6.33769"
                           zFract="0.28522457"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.0051"
                           xFract="0.00060427"
                           y3="2.11579"
                           yFract="0.25068602"
                           z3="4.23297"
                           zFract="0.1905027"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.13398"
                           xFract="-0.01587441"
                           y3="2.12857"
                           yFract="0.25220024"
                           z3="8.45367"
                           zFract="0.3804532"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.09879"
                           xFract="0.2486718"
                           y3="4.20649"
                           yFract="0.49839929"
                           z3="4.2241"
                           zFract="0.19010351"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34064"
                           xFract="0.75126066"
                           y3="0.01312"
                           yFract="0.0015545"
                           z3="4.20033"
                           zFract="0.18903375"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.0992"
                           xFract="0.24872038"
                           y3="4.34298"
                           yFract="0.51457109"
                           z3="8.47224"
                           zFract="0.38128893"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33374"
                           xFract="0.75044313"
                           y3="2.11082"
                           yFract="0.25009716"
                           z3="6.33908"
                           zFract="0.28528713"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09777"
                           xFract="0.24855095"
                           y3="0.00938"
                           yFract="0.00111137"
                           z3="4.21143"
                           zFract="0.1895333"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.22175"
                           xFract="0.50020735"
                           y3="6.31809"
                           yFract="0.74858886"
                           z3="8.43513"
                           zFract="0.37961881"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32299"
                           xFract="0.74916943"
                           y3="6.33755"
                           yFract="0.75089455"
                           z3="6.3314"
                           zFract="0.28494149"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.34419"
                           xFract="0.75168128"
                           y3="4.19998"
                           yFract="0.49762796"
                           z3="4.22725"
                           zFract="0.19024527"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33497"
                           xFract="0.75058886"
                           y3="0.00833"
                           yFract="0.00098697"
                           z3="8.43945"
                           zFract="0.37981323"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.33923"
                           xFract="0.51412678"
                           y3="2.12047"
                           yFract="0.25124052"
                           z3="8.38461"
                           zFract="0.37734518"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.07444"
                           xFract="0.00881991"
                           y3="2.09551"
                           yFract="0.24828318"
                           z3="6.26182"
                           zFract="0.28181008"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.03949"
                           xFract="0.24164573"
                           y3="0.0094"
                           yFract="0.00111374"
                           z3="6.37367"
                           zFract="0.28684383"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00554"
                           xFract="0.0006564"
                           y3="-0.0577"
                           yFract="-0.00683649"
                           z3="4.22263"
                           zFract="0.19003735"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.05105"
                           xFract="0.00604858"
                           y3="-0.00411"
                           yFract="-0.00048697"
                           z3="8.43237"
                           zFract="0.3794946"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.16856"
                           xFract="0.25693839"
                           y3="2.09363"
                           yFract="0.24806043"
                           z3="4.23951"
                           zFract="0.19079703"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.17158"
                           xFract="0.25729621"
                           y3="2.06655"
                           yFract="0.2448519"
                           z3="8.53838"
                           zFract="0.38426553"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.12557"
                           xFract="0.48881161"
                           y3="2.1699"
                           yFract="0.25709716"
                           z3="6.29923"
                           zFract="0.2834937"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.39503"
                           xFract="0.75770498"
                           y3="-0.01522"
                           yFract="-0.00180332"
                           z3="6.33605"
                           zFract="0.28515077"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20865"
                           xFract="0.49865521"
                           y3="-0.00741"
                           yFract="-0.00087796"
                           z3="4.20981"
                           zFract="0.1894604"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.17017"
                           xFract="0.49409597"
                           y3="0.01213"
                           yFract="0.0014372"
                           z3="8.49889"
                           zFract="0.3824883"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.27528"
                           xFract="0.74351659"
                           y3="2.11382"
                           yFract="0.25045261"
                           z3="4.22114"
                           zFract="0.1899703"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30401"
                           xFract="0.74692062"
                           y3="2.13436"
                           yFract="0.25288626"
                           z3="8.49952"
                           zFract="0.38251665"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03113"
                           xFract="0.00368839"
                           y3="6.33363"
                           yFract="0.75043009"
                           z3="6.33487"
                           zFract="0.28509766"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10584"
                           xFract="0.24950711"
                           y3="4.2023"
                           yFract="0.49790284"
                           z3="6.2851"
                           zFract="0.28285779"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.01902"
                           xFract="-0.00225355"
                           y3="4.28113"
                           yFract="0.50724289"
                           z3="4.27299"
                           zFract="0.19230378"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.00007"
                           xFract="-0.00000829"
                           y3="4.23233"
                           yFract="0.5014609"
                           z3="8.4436"
                           zFract="0.3800"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1117"
                           xFract="0.25020142"
                           y3="6.34283"
                           yFract="0.75152014"
                           z3="4.19898"
                           zFract="0.188973"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.09554"
                           xFract="0.24828673"
                           y3="6.36905"
                           yFract="0.75462678"
                           z3="8.46605"
                           zFract="0.38101035"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19195"
                           xFract="0.49667654"
                           y3="6.27374"
                           yFract="0.74333412"
                           z3="6.29639"
                           zFract="0.28336589"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3317"
                           xFract="0.75020142"
                           y3="4.24528"
                           yFract="0.50299526"
                           z3="6.37231"
                           zFract="0.28678263"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23583"
                           xFract="0.50187559"
                           y3="4.22614"
                           yFract="0.50072749"
                           z3="4.21172"
                           zFract="0.18954635"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22513"
                           xFract="0.50060782"
                           y3="4.21118"
                           yFract="0.49895498"
                           z3="8.46587"
                           zFract="0.38100225"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32753"
                           xFract="0.74970735"
                           y3="6.32225"
                           yFract="0.74908175"
                           z3="4.17551"
                           zFract="0.18791674"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34614"
                           xFract="0.75191232"
                           y3="6.30734"
                           yFract="0.74731517"
                           z3="8.5080"
                           zFract="0.38289829"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a55" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.07063"
                           xFract="0.24533531"
                           y3="2.1147"
                           yFract="0.25055687"
                           z3="9.52448"
                           zFract="0.42864446"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35132"
                           xFract="0.75252607"
                           y3="4.22454"
                           yFract="0.50053791"
                           z3="8.43342"
                           zFract="0.37954185"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11655"
                           xFract="0.25077607"
                           y3="-0.11196"
                           yFract="-0.0132654"
                           z3="8.41979"
                           zFract="0.37892844"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.00992"
                           xFract="0.00117536"
                           y3="0.01697"
                           yFract="0.00201066"
                           z3="6.35938"
                           zFract="0.28620072"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11062"
                           xFract="0.25007346"
                           y3="6.29978"
                           yFract="0.74641943"
                           z3="6.31186"
                           zFract="0.28406211"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.10119"
                           xFract="0.24895616"
                           y3="2.11062"
                           yFract="0.25007346"
                           z3="6.26854"
                           zFract="0.28211251"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.20752"
                           xFract="0.49852133"
                           y3="6.33289"
                           yFract="0.75034242"
                           z3="4.2486"
                           zFract="0.19120612"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22702"
                           xFract="0.50083175"
                           y3="2.10798"
                           yFract="0.24976066"
                           z3="4.21596"
                           zFract="0.18973717"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19721"
                           xFract="0.49729976"
                           y3="4.20807"
                           yFract="0.49858649"
                           z3="6.35186"
                           zFract="0.28586229"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.01675"
                           xFract="0.0019846"
                           y3="4.1832"
                           yFract="0.49563981"
                           z3="6.34212"
                           zFract="0.28542394"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.0124"
                           xFract="0.00146919"
                           y3="6.33327"
                           yFract="0.75038744"
                           z3="4.25871"
                           zFract="0.19166112"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01177"
                           xFract="-0.00139455"
                           y3="6.3142"
                           yFract="0.74812796"
                           z3="8.3711"
                           zFract="0.37673717"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22349"
                           xFract="0.50041351"
                           y3="0.01574"
                           yFract="0.00186493"
                           z3="6.34441"
                           zFract="0.285527"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.00836"
                           xFract="0.00099052"
                           y3="2.11885"
                           yFract="0.25104858"
                           z3="4.23125"
                           zFract="0.19042529"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.1675"
                           xFract="-0.01984597"
                           y3="2.13954"
                           yFract="0.2535"
                           z3="8.45799"
                           zFract="0.38064761"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.09674"
                           xFract="0.24842891"
                           y3="4.20274"
                           yFract="0.49795498"
                           z3="4.2231"
                           zFract="0.19005851"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34485"
                           xFract="0.75175948"
                           y3="0.01705"
                           yFract="0.00202014"
                           z3="4.18999"
                           zFract="0.18856841"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.0979"
                           xFract="0.24856635"
                           y3="4.36719"
                           yFract="0.51743957"
                           z3="8.48576"
                           zFract="0.38189739"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32983"
                           xFract="0.74997986"
                           y3="2.11361"
                           yFract="0.25042773"
                           z3="6.32905"
                           zFract="0.28483573"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09217"
                           xFract="0.24788744"
                           y3="0.01023"
                           yFract="0.00121209"
                           z3="4.21139"
                           zFract="0.1895315"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.24209"
                           xFract="0.5026173"
                           y3="6.31094"
                           yFract="0.74774171"
                           z3="8.43227"
                           zFract="0.3794901"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31994"
                           xFract="0.74880806"
                           y3="6.33805"
                           yFract="0.75095379"
                           z3="6.33268"
                           zFract="0.2849991"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.34743"
                           xFract="0.75206517"
                           y3="4.19403"
                           yFract="0.49692299"
                           z3="4.23421"
                           zFract="0.19055851"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3364"
                           xFract="0.75075829"
                           y3="-0.00624"
                           yFract="-0.00073934"
                           z3="8.44177"
                           zFract="0.37991764"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.32735"
                           xFract="0.51271919"
                           y3="2.12552"
                           yFract="0.25183886"
                           z3="8.35536"
                           zFract="0.3760288"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.09485"
                           xFract="0.01123815"
                           y3="2.08979"
                           yFract="0.24760545"
                           z3="6.23118"
                           zFract="0.28043114"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.00455"
                           xFract="0.23750592"
                           y3="0.00318"
                           yFract="0.00037678"
                           z3="6.39151"
                           zFract="0.28764671"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00839"
                           xFract="0.00099408"
                           y3="-0.08143"
                           yFract="-0.0096481"
                           z3="4.22441"
                           zFract="0.19011746"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.06727"
                           xFract="0.00797038"
                           y3="-0.00545"
                           yFract="-0.00064573"
                           z3="8.42687"
                           zFract="0.37924707"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19212"
                           xFract="0.25972986"
                           y3="2.08195"
                           yFract="0.24667654"
                           z3="4.22476"
                           zFract="0.19013321"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.19899"
                           xFract="0.26054384"
                           y3="2.04545"
                           yFract="0.2423519"
                           z3="8.58849"
                           zFract="0.3865207"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.09586"
                           xFract="0.48529147"
                           y3="2.18938"
                           yFract="0.25940521"
                           z3="6.28763"
                           zFract="0.28297165"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.42622"
                           xFract="0.76140047"
                           y3="-0.02301"
                           yFract="-0.0027263"
                           z3="6.34681"
                           zFract="0.28563501"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20488"
                           xFract="0.49820853"
                           y3="-0.01225"
                           yFract="-0.00145142"
                           z3="4.21322"
                           zFract="0.18961386"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.15702"
                           xFract="0.49253791"
                           y3="-0.00037"
                           yFract="-0.00004384"
                           z3="8.51996"
                           zFract="0.38343654"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2531"
                           xFract="0.74088863"
                           y3="2.11298"
                           yFract="0.25035308"
                           z3="4.22402"
                           zFract="0.19009991"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3173"
                           xFract="0.74849526"
                           y3="2.13479"
                           yFract="0.2529372"
                           z3="8.53624"
                           zFract="0.38416922"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.04294"
                           xFract="0.00508768"
                           y3="6.33574"
                           yFract="0.75068009"
                           z3="6.34276"
                           zFract="0.28545275"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09819"
                           xFract="0.24860071"
                           y3="4.20839"
                           yFract="0.49862441"
                           z3="6.27089"
                           zFract="0.28221827"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.02926"
                           xFract="-0.00346682"
                           y3="4.30673"
                           yFract="0.51027607"
                           z3="4.29691"
                           zFract="0.19338029"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00593"
                           xFract="0.00070261"
                           y3="4.23755"
                           yFract="0.50207938"
                           z3="8.44375"
                           zFract="0.38000675"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11347"
                           xFract="0.25041114"
                           y3="6.34942"
                           yFract="0.75230095"
                           z3="4.1941"
                           zFract="0.18875338"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.09026"
                           xFract="0.24766114"
                           y3="6.37337"
                           yFract="0.75513863"
                           z3="8.48187"
                           zFract="0.38172232"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.18135"
                           xFract="0.49542062"
                           y3="6.25306"
                           yFract="0.74088389"
                           z3="6.2958"
                           zFract="0.28333933"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33584"
                           xFract="0.75069194"
                           y3="4.2563"
                           yFract="0.50430095"
                           z3="6.39369"
                           zFract="0.28774482"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.24336"
                           xFract="0.50276777"
                           y3="4.23107"
                           yFract="0.50131161"
                           z3="4.20069"
                           zFract="0.18904995"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22478"
                           xFract="0.50056635"
                           y3="4.22634"
                           yFract="0.50075118"
                           z3="8.47943"
                           zFract="0.38161251"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32524"
                           xFract="0.74943602"
                           y3="6.32199"
                           yFract="0.74905095"
                           z3="4.16717"
                           zFract="0.1875414"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34919"
                           xFract="0.7522737"
                           y3="6.30403"
                           yFract="0.74692299"
                           z3="8.53546"
                           zFract="0.38413411"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a20 a29" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.07677"
                           xFract="0.2460628"
                           y3="2.11441"
                           yFract="0.25052251"
                           z3="9.51123"
                           zFract="0.42804815"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34864"
                           xFract="0.75220853"
                           y3="4.21658"
                           yFract="0.49959479"
                           z3="8.43177"
                           zFract="0.3794676"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11395"
                           xFract="0.25046801"
                           y3="-0.11262"
                           yFract="-0.0133436"
                           z3="8.42055"
                           zFract="0.37896265"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.00444"
                           xFract="0.00052607"
                           y3="0.01458"
                           yFract="0.00172749"
                           z3="6.35539"
                           zFract="0.28602115"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11146"
                           xFract="0.25017299"
                           y3="6.30553"
                           yFract="0.74710071"
                           z3="6.32035"
                           zFract="0.28444419"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09898"
                           xFract="0.24869431"
                           y3="2.11025"
                           yFract="0.25002962"
                           z3="6.26686"
                           zFract="0.2820369"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.20923"
                           xFract="0.49872393"
                           y3="6.3337"
                           yFract="0.75043839"
                           z3="4.24762"
                           zFract="0.19116202"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22609"
                           xFract="0.50072156"
                           y3="2.10683"
                           yFract="0.24962441"
                           z3="4.2143"
                           zFract="0.18966247"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.20249"
                           xFract="0.49792536"
                           y3="4.21344"
                           yFract="0.49922275"
                           z3="6.34928"
                           zFract="0.28574617"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.01321"
                           xFract="0.00156517"
                           y3="4.18924"
                           yFract="0.49635545"
                           z3="6.33981"
                           zFract="0.28531998"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.01069"
                           xFract="0.00126659"
                           y3="6.33325"
                           yFract="0.75038507"
                           z3="4.25304"
                           zFract="0.19140594"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.00423"
                           xFract="-0.00050118"
                           y3="6.31627"
                           yFract="0.74837322"
                           z3="8.38147"
                           zFract="0.37720387"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22488"
                           xFract="0.5005782"
                           y3="0.01031"
                           yFract="0.00122156"
                           z3="6.34105"
                           zFract="0.28537579"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.00673"
                           xFract="0.00079739"
                           y3="2.11732"
                           yFract="0.2508673"
                           z3="4.23211"
                           zFract="0.190464"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.15074"
                           xFract="-0.01786019"
                           y3="2.13405"
                           yFract="0.25284953"
                           z3="8.45583"
                           zFract="0.38055041"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.09776"
                           xFract="0.24854976"
                           y3="4.20461"
                           yFract="0.49817654"
                           z3="4.2236"
                           zFract="0.19008101"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34274"
                           xFract="0.75150948"
                           y3="0.01508"
                           yFract="0.00178673"
                           z3="4.19515"
                           zFract="0.18880063"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09855"
                           xFract="0.24864336"
                           y3="4.35509"
                           yFract="0.51600592"
                           z3="8.4790"
                           zFract="0.38159316"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33178"
                           xFract="0.7502109"
                           y3="2.11221"
                           yFract="0.25026185"
                           z3="6.33406"
                           zFract="0.28506121"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09497"
                           xFract="0.24821919"
                           y3="0.0098"
                           yFract="0.00116114"
                           z3="4.21141"
                           zFract="0.1895324"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23193"
                           xFract="0.50141351"
                           y3="6.31451"
                           yFract="0.74816469"
                           z3="8.4337"
                           zFract="0.37955446"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32146"
                           xFract="0.74898815"
                           y3="6.3378"
                           yFract="0.75092417"
                           z3="6.33204"
                           zFract="0.2849703"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.34581"
                           xFract="0.75187322"
                           y3="4.19701"
                           yFract="0.49727607"
                           z3="4.23073"
                           zFract="0.19040189"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33568"
                           xFract="0.75067299"
                           y3="0.00104"
                           yFract="0.00012322"
                           z3="8.44061"
                           zFract="0.37986544"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.33329"
                           xFract="0.51342299"
                           y3="2.12299"
                           yFract="0.2515391"
                           z3="8.36998"
                           zFract="0.37668677"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08465"
                           xFract="0.01002962"
                           y3="2.09265"
                           yFract="0.24794431"
                           z3="6.24649"
                           zFract="0.28112016"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.02202"
                           xFract="0.23957583"
                           y3="0.00629"
                           yFract="0.00074526"
                           z3="6.38259"
                           zFract="0.28724527"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00696"
                           xFract="0.00082464"
                           y3="-0.06957"
                           yFract="-0.00824289"
                           z3="4.22352"
                           zFract="0.19007741"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.05916"
                           xFract="0.00700948"
                           y3="-0.00478"
                           yFract="-0.00056635"
                           z3="8.42962"
                           zFract="0.37937084"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18034"
                           xFract="0.25833412"
                           y3="2.08779"
                           yFract="0.24736848"
                           z3="4.23213"
                           zFract="0.1904649"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.18529"
                           xFract="0.25892062"
                           y3="2.05599"
                           yFract="0.24360071"
                           z3="8.56344"
                           zFract="0.38539334"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.11071"
                           xFract="0.48705095"
                           y3="2.17964"
                           yFract="0.25825118"
                           z3="6.29343"
                           zFract="0.28323267"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.41063"
                           xFract="0.75955332"
                           y3="-0.01912"
                           yFract="-0.0022654"
                           z3="6.34143"
                           zFract="0.28539289"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20676"
                           xFract="0.49843128"
                           y3="-0.00983"
                           yFract="-0.00116469"
                           z3="4.21152"
                           zFract="0.18953735"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.16359"
                           xFract="0.49331635"
                           y3="0.00588"
                           yFract="0.00069668"
                           z3="8.50943"
                           zFract="0.38296265"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26419"
                           xFract="0.74220261"
                           y3="2.1134"
                           yFract="0.25040284"
                           z3="4.22258"
                           zFract="0.1900351"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.31066"
                           xFract="0.74770853"
                           y3="2.13458"
                           yFract="0.25291232"
                           z3="8.51789"
                           zFract="0.38334338"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03704"
                           xFract="0.00438863"
                           y3="6.33468"
                           yFract="0.7505545"
                           z3="6.33882"
                           zFract="0.28527543"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10201"
                           xFract="0.24905332"
                           y3="4.20534"
                           yFract="0.49826303"
                           z3="6.27799"
                           zFract="0.2825378"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.02414"
                           xFract="-0.00286019"
                           y3="4.29394"
                           yFract="0.50876066"
                           z3="4.28496"
                           zFract="0.19284248"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00293"
                           xFract="0.00034716"
                           y3="4.23494"
                           yFract="0.50177014"
                           z3="8.44367"
                           zFract="0.38000315"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11259"
                           xFract="0.25030687"
                           y3="6.34613"
                           yFract="0.75191114"
                           z3="4.19654"
                           zFract="0.18886319"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0929"
                           xFract="0.24797393"
                           y3="6.37121"
                           yFract="0.7548827"
                           z3="8.47396"
                           zFract="0.38136634"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.18665"
                           xFract="0.49604858"
                           y3="6.26339"
                           yFract="0.74210782"
                           z3="6.2961"
                           zFract="0.28335284"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33378"
                           xFract="0.75044787"
                           y3="4.25079"
                           yFract="0.5036481"
                           z3="6.3830"
                           zFract="0.28726373"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2396"
                           xFract="0.50232227"
                           y3="4.22861"
                           yFract="0.50102014"
                           z3="4.20621"
                           zFract="0.18929838"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22495"
                           xFract="0.50058649"
                           y3="4.21877"
                           yFract="0.49985427"
                           z3="8.47265"
                           zFract="0.38130738"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32638"
                           xFract="0.74957109"
                           y3="6.32212"
                           yFract="0.74906635"
                           z3="4.17134"
                           zFract="0.18772907"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34767"
                           xFract="0.7520936"
                           y3="6.30569"
                           yFract="0.74711967"
                           z3="8.52173"
                           zFract="0.3835162"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a20 a29" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a67" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.06996"
                           xFract="0.24525592"
                           y3="2.1158"
                           yFract="0.2506872"
                           z3="9.5404"
                           zFract="0.42936094"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34915"
                           xFract="0.75226896"
                           y3="4.22223"
                           yFract="0.50026422"
                           z3="8.43663"
                           zFract="0.37968632"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1168"
                           xFract="0.25080569"
                           y3="-0.10501"
                           yFract="-0.01244194"
                           z3="8.42485"
                           zFract="0.37915617"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.00862"
                           xFract="0.00102133"
                           y3="0.01495"
                           yFract="0.00177133"
                           z3="6.35745"
                           zFract="0.28611386"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11114"
                           xFract="0.25013507"
                           y3="6.3026"
                           yFract="0.74675355"
                           z3="6.31607"
                           zFract="0.28425158"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09912"
                           xFract="0.2487109"
                           y3="2.11059"
                           yFract="0.25006991"
                           z3="6.27124"
                           zFract="0.28223402"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.20934"
                           xFract="0.49873697"
                           y3="6.33254"
                           yFract="0.75030095"
                           z3="4.24664"
                           zFract="0.19111791"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22557"
                           xFract="0.50065995"
                           y3="2.10787"
                           yFract="0.24974763"
                           z3="4.21424"
                           zFract="0.18965977"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19907"
                           xFract="0.49752014"
                           y3="4.21231"
                           yFract="0.49908886"
                           z3="6.34996"
                           zFract="0.28577678"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.01519"
                           xFract="0.00179976"
                           y3="4.18611"
                           yFract="0.4959846"
                           z3="6.34183"
                           zFract="0.28541089"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.01048"
                           xFract="0.00124171"
                           y3="6.33248"
                           yFract="0.75029384"
                           z3="4.25579"
                           zFract="0.1915297"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.00829"
                           xFract="-0.00098223"
                           y3="6.31653"
                           yFract="0.74840403"
                           z3="8.3782"
                           zFract="0.37705671"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22343"
                           xFract="0.5004064"
                           y3="0.01266"
                           yFract="0.0015"
                           z3="6.34405"
                           zFract="0.2855108"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.0087"
                           xFract="0.00103081"
                           y3="2.11858"
                           yFract="0.25101659"
                           z3="4.22786"
                           zFract="0.19027273"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.15237"
                           xFract="-0.01805332"
                           y3="2.13796"
                           yFract="0.2533128"
                           z3="8.45635"
                           zFract="0.38057381"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.09734"
                           xFract="0.2485"
                           y3="4.20374"
                           yFract="0.49807346"
                           z3="4.22136"
                           zFract="0.1899802"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34336"
                           xFract="0.75158294"
                           y3="0.01455"
                           yFract="0.00172393"
                           z3="4.19364"
                           zFract="0.18873267"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09904"
                           xFract="0.24870142"
                           y3="4.35653"
                           yFract="0.51617654"
                           z3="8.4842"
                           zFract="0.38182718"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33045"
                           xFract="0.75005332"
                           y3="2.11269"
                           yFract="0.25031872"
                           z3="6.33111"
                           zFract="0.28492844"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.0941"
                           xFract="0.24811611"
                           y3="0.00913"
                           yFract="0.00108175"
                           z3="4.21219"
                           zFract="0.18956751"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23861"
                           xFract="0.50220498"
                           y3="6.3128"
                           yFract="0.74796209"
                           z3="8.43304"
                           zFract="0.37952475"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31955"
                           xFract="0.74876185"
                           y3="6.33759"
                           yFract="0.75089929"
                           z3="6.33026"
                           zFract="0.28489019"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.34616"
                           xFract="0.75191469"
                           y3="4.1975"
                           yFract="0.49733412"
                           z3="4.23374"
                           zFract="0.19053735"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33514"
                           xFract="0.750609"
                           y3="-0.00412"
                           yFract="-0.00048815"
                           z3="8.44303"
                           zFract="0.37997435"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.32467"
                           xFract="0.51240166"
                           y3="2.12441"
                           yFract="0.25170735"
                           z3="8.36302"
                           zFract="0.37637354"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08798"
                           xFract="0.01042417"
                           y3="2.0914"
                           yFract="0.24779621"
                           z3="6.23846"
                           zFract="0.28075878"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.01221"
                           xFract="0.23841351"
                           y3="0.00369"
                           yFract="0.0004372"
                           z3="6.38607"
                           zFract="0.28740189"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00751"
                           xFract="0.00088981"
                           y3="-0.07327"
                           yFract="-0.00868128"
                           z3="4.22468"
                           zFract="0.19012961"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.0621"
                           xFract="0.00735782"
                           y3="-0.00368"
                           yFract="-0.00043602"
                           z3="8.42685"
                           zFract="0.37924617"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18387"
                           xFract="0.25875237"
                           y3="2.08373"
                           yFract="0.24688744"
                           z3="4.22429"
                           zFract="0.19011206"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.19547"
                           xFract="0.26012678"
                           y3="2.04771"
                           yFract="0.24261967"
                           z3="8.56033"
                           zFract="0.38525338"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.10542"
                           xFract="0.48642417"
                           y3="2.18286"
                           yFract="0.2586327"
                           z3="6.29307"
                           zFract="0.28321647"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.4215"
                           xFract="0.76084123"
                           y3="-0.0207"
                           yFract="-0.00245261"
                           z3="6.34659"
                           zFract="0.28562511"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20663"
                           xFract="0.49841588"
                           y3="-0.01112"
                           yFract="-0.00131754"
                           z3="4.21649"
                           zFract="0.18976103"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.1631"
                           xFract="0.49325829"
                           y3="-0.00133"
                           yFract="-0.00015758"
                           z3="8.51183"
                           zFract="0.38307066"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26059"
                           xFract="0.74177607"
                           y3="2.11206"
                           yFract="0.25024408"
                           z3="4.22436"
                           zFract="0.19011521"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30808"
                           xFract="0.74740284"
                           y3="2.13166"
                           yFract="0.25256635"
                           z3="8.52947"
                           zFract="0.38386454"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03816"
                           xFract="0.00452133"
                           y3="6.33565"
                           yFract="0.75066943"
                           z3="6.34121"
                           zFract="0.28538299"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09965"
                           xFract="0.2487737"
                           y3="4.20784"
                           yFract="0.49855924"
                           z3="6.27578"
                           zFract="0.28243834"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.02784"
                           xFract="-0.00329858"
                           y3="4.29808"
                           yFract="0.50925118"
                           z3="4.2907"
                           zFract="0.19310081"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00729"
                           xFract="0.00086374"
                           y3="4.23556"
                           yFract="0.5018436"
                           z3="8.44312"
                           zFract="0.3799784"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11335"
                           xFract="0.25039692"
                           y3="6.34781"
                           yFract="0.75211019"
                           z3="4.19553"
                           zFract="0.18881773"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.09143"
                           xFract="0.24779976"
                           y3="6.37158"
                           yFract="0.75492654"
                           z3="8.47764"
                           zFract="0.38153195"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.18513"
                           xFract="0.49586848"
                           y3="6.25975"
                           yFract="0.74167654"
                           z3="6.29851"
                           zFract="0.2834613"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33475"
                           xFract="0.7505628"
                           y3="4.2525"
                           yFract="0.50385071"
                           z3="6.39003"
                           zFract="0.28758011"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.24197"
                           xFract="0.50260308"
                           y3="4.22978"
                           yFract="0.50115877"
                           z3="4.20244"
                           zFract="0.18912871"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22376"
                           xFract="0.5004455"
                           y3="4.22528"
                           yFract="0.50062559"
                           z3="8.47621"
                           zFract="0.3814676"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32523"
                           xFract="0.74943483"
                           y3="6.32357"
                           yFract="0.74923815"
                           z3="4.17277"
                           zFract="0.18779343"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34921"
                           xFract="0.75227607"
                           y3="6.30748"
                           yFract="0.74733175"
                           z3="8.52946"
                           zFract="0.38386409"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a20 a29" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.07096"
                           xFract="0.24537441"
                           y3="2.11559"
                           yFract="0.25066232"
                           z3="9.53614"
                           zFract="0.42916922"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34907"
                           xFract="0.75225948"
                           y3="4.22141"
                           yFract="0.50016706"
                           z3="8.43592"
                           zFract="0.37965437"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11638"
                           xFract="0.25075592"
                           y3="-0.10612"
                           yFract="-0.01257346"
                           z3="8.42422"
                           zFract="0.37912781"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.00801"
                           xFract="0.00094905"
                           y3="0.01489"
                           yFract="0.00176422"
                           z3="6.35715"
                           zFract="0.28610036"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11119"
                           xFract="0.250141"
                           y3="6.30302"
                           yFract="0.74680332"
                           z3="6.3167"
                           zFract="0.28427993"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.0991"
                           xFract="0.24870853"
                           y3="2.11054"
                           yFract="0.25006398"
                           z3="6.2706"
                           zFract="0.28220522"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.20933"
                           xFract="0.49873578"
                           y3="6.33271"
                           yFract="0.75032109"
                           z3="4.24678"
                           zFract="0.19112421"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22565"
                           xFract="0.50066943"
                           y3="2.10772"
                           yFract="0.24972986"
                           z3="4.21425"
                           zFract="0.18966022"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19957"
                           xFract="0.49757938"
                           y3="4.21248"
                           yFract="0.499109"
                           z3="6.34986"
                           zFract="0.28577228"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0149"
                           xFract="0.0017654"
                           y3="4.18657"
                           yFract="0.4960391"
                           z3="6.34154"
                           zFract="0.28539784"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.01051"
                           xFract="0.00124526"
                           y3="6.3326"
                           yFract="0.75030806"
                           z3="4.25539"
                           zFract="0.1915117"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.00769"
                           xFract="-0.00091114"
                           y3="6.31649"
                           yFract="0.74839929"
                           z3="8.37868"
                           zFract="0.37707831"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22364"
                           xFract="0.50043128"
                           y3="0.01232"
                           yFract="0.00145972"
                           z3="6.34361"
                           zFract="0.285491"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.00841"
                           xFract="0.00099645"
                           y3="2.11839"
                           yFract="0.25099408"
                           z3="4.22848"
                           zFract="0.19030063"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.15214"
                           xFract="-0.01802607"
                           y3="2.13739"
                           yFract="0.25324526"
                           z3="8.45628"
                           zFract="0.38057066"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.0974"
                           xFract="0.24850711"
                           y3="4.20387"
                           yFract="0.49808886"
                           z3="4.22169"
                           zFract="0.18999505"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34327"
                           xFract="0.75157227"
                           y3="0.01463"
                           yFract="0.00173341"
                           z3="4.19386"
                           zFract="0.18874257"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09896"
                           xFract="0.24869194"
                           y3="4.35632"
                           yFract="0.51615166"
                           z3="8.48344"
                           zFract="0.38179298"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33064"
                           xFract="0.75007583"
                           y3="2.11262"
                           yFract="0.25031043"
                           z3="6.33154"
                           zFract="0.28494779"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09422"
                           xFract="0.24813033"
                           y3="0.00923"
                           yFract="0.0010936"
                           z3="4.21208"
                           zFract="0.18956256"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23764"
                           xFract="0.50209005"
                           y3="6.31305"
                           yFract="0.74799171"
                           z3="8.43314"
                           zFract="0.37952925"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31983"
                           xFract="0.74879502"
                           y3="6.33762"
                           yFract="0.75090284"
                           z3="6.33052"
                           zFract="0.28490189"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.34611"
                           xFract="0.75190877"
                           y3="4.19743"
                           yFract="0.49732583"
                           z3="4.2333"
                           zFract="0.19051755"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33522"
                           xFract="0.75061848"
                           y3="-0.00337"
                           yFract="-0.00039929"
                           z3="8.44268"
                           zFract="0.3799586"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.32592"
                           xFract="0.51254976"
                           y3="2.1242"
                           yFract="0.25168246"
                           z3="8.36404"
                           zFract="0.37641944"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08749"
                           xFract="0.01036611"
                           y3="2.09158"
                           yFract="0.24781754"
                           z3="6.23963"
                           zFract="0.28081143"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.01364"
                           xFract="0.23858294"
                           y3="0.00407"
                           yFract="0.00048223"
                           z3="6.38556"
                           zFract="0.28737894"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00743"
                           xFract="0.00088033"
                           y3="-0.07273"
                           yFract="-0.0086173"
                           z3="4.22451"
                           zFract="0.19012196"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.06167"
                           xFract="0.00730687"
                           y3="-0.00384"
                           yFract="-0.00045498"
                           z3="8.42726"
                           zFract="0.37926463"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18335"
                           xFract="0.25869076"
                           y3="2.08432"
                           yFract="0.24695735"
                           z3="4.22544"
                           zFract="0.19016382"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.19399"
                           xFract="0.25995142"
                           y3="2.04892"
                           yFract="0.24276303"
                           z3="8.56078"
                           zFract="0.38527363"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.10619"
                           xFract="0.4865154"
                           y3="2.18239"
                           yFract="0.25857701"
                           z3="6.29313"
                           zFract="0.28321917"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.41991"
                           xFract="0.76065284"
                           y3="-0.02047"
                           yFract="-0.00242536"
                           z3="6.34583"
                           zFract="0.28559091"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20665"
                           xFract="0.49841825"
                           y3="-0.01093"
                           yFract="-0.00129502"
                           z3="4.21576"
                           zFract="0.18972817"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.16317"
                           xFract="0.49326659"
                           y3="-0.00028"
                           yFract="-0.00003318"
                           z3="8.51148"
                           zFract="0.38305491"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26111"
                           xFract="0.74183768"
                           y3="2.11226"
                           yFract="0.25026777"
                           z3="4.2241"
                           zFract="0.19010351"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30846"
                           xFract="0.74744787"
                           y3="2.13208"
                           yFract="0.25261611"
                           z3="8.52778"
                           zFract="0.38378848"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03799"
                           xFract="0.00450118"
                           y3="6.33551"
                           yFract="0.75065284"
                           z3="6.34086"
                           zFract="0.28536724"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.1000"
                           xFract="0.24881517"
                           y3="4.20748"
                           yFract="0.49851659"
                           z3="6.27611"
                           zFract="0.2824532"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.0273"
                           xFract="-0.0032346"
                           y3="4.29748"
                           yFract="0.50918009"
                           z3="4.28986"
                           zFract="0.19306301"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00665"
                           xFract="0.00078791"
                           y3="4.23547"
                           yFract="0.50183294"
                           z3="8.4432"
                           zFract="0.379982"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11324"
                           xFract="0.25038389"
                           y3="6.34757"
                           yFract="0.75208175"
                           z3="4.19568"
                           zFract="0.18882448"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.09164"
                           xFract="0.24782464"
                           y3="6.37153"
                           yFract="0.75492062"
                           z3="8.4771"
                           zFract="0.38150765"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.18535"
                           xFract="0.49589455"
                           y3="6.26028"
                           yFract="0.74173934"
                           z3="6.29816"
                           zFract="0.28344554"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33461"
                           xFract="0.75054621"
                           y3="4.25225"
                           yFract="0.50382109"
                           z3="6.38901"
                           zFract="0.2875342"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.24163"
                           xFract="0.5025628"
                           y3="4.22961"
                           yFract="0.50113863"
                           z3="4.20299"
                           zFract="0.18915347"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22393"
                           xFract="0.50046564"
                           y3="4.22433"
                           yFract="0.50051303"
                           z3="8.47569"
                           zFract="0.38144419"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3254"
                           xFract="0.74945498"
                           y3="6.32336"
                           yFract="0.74921327"
                           z3="4.17256"
                           zFract="0.18778398"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34898"
                           xFract="0.75224882"
                           y3="6.30722"
                           yFract="0.74730095"
                           z3="8.52833"
                           zFract="0.38381323"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a20 a29" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.06673"
                           xFract="0.24487322"
                           y3="2.11594"
                           yFract="0.25070379"
                           z3="9.54473"
                           zFract="0.42955581"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34852"
                           xFract="0.75219431"
                           y3="4.2252"
                           yFract="0.50061611"
                           z3="8.44266"
                           zFract="0.3799577"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11949"
                           xFract="0.25112441"
                           y3="-0.09719"
                           yFract="-0.0115154"
                           z3="8.43114"
                           zFract="0.37943924"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01109"
                           xFract="0.00131398"
                           y3="0.01422"
                           yFract="0.00168483"
                           z3="6.35848"
                           zFract="0.28616022"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11108"
                           xFract="0.25012796"
                           y3="6.30165"
                           yFract="0.746641"
                           z3="6.31537"
                           zFract="0.28422007"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09763"
                           xFract="0.24853436"
                           y3="2.11088"
                           yFract="0.25010427"
                           z3="6.27506"
                           zFract="0.28240594"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21023"
                           xFract="0.49884242"
                           y3="6.33145"
                           yFract="0.7501718"
                           z3="4.24517"
                           zFract="0.19105176"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22446"
                           xFract="0.50052844"
                           y3="2.10859"
                           yFract="0.24983294"
                           z3="4.21316"
                           zFract="0.18961116"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19701"
                           xFract="0.49727607"
                           y3="4.21384"
                           yFract="0.49927014"
                           z3="6.34981"
                           zFract="0.28577003"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0160"
                           xFract="0.00189573"
                           y3="4.18484"
                           yFract="0.49583412"
                           z3="6.34356"
                           zFract="0.28548875"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00941"
                           xFract="0.00111493"
                           y3="6.33149"
                           yFract="0.75017654"
                           z3="4.25687"
                           zFract="0.19157831"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.00934"
                           xFract="-0.00110664"
                           y3="6.31804"
                           yFract="0.74858294"
                           z3="8.37895"
                           zFract="0.37709046"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22226"
                           xFract="0.50026777"
                           y3="0.01288"
                           yFract="0.00152607"
                           z3="6.34662"
                           zFract="0.28562646"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.01062"
                           xFract="0.00125829"
                           y3="2.11966"
                           yFract="0.25114455"
                           z3="4.22235"
                           zFract="0.19002475"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.14758"
                           xFract="-0.01748578"
                           y3="2.14077"
                           yFract="0.25364573"
                           z3="8.45587"
                           zFract="0.38055221"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.09704"
                           xFract="0.24846445"
                           y3="4.20334"
                           yFract="0.49802607"
                           z3="4.21859"
                           zFract="0.18985554"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34321"
                           xFract="0.75156517"
                           y3="0.01302"
                           yFract="0.00154265"
                           z3="4.19447"
                           zFract="0.18877003"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10006"
                           xFract="0.24882227"
                           y3="4.35354"
                           yFract="0.51582227"
                           z3="8.48833"
                           zFract="0.38201305"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32974"
                           xFract="0.74996919"
                           y3="2.11248"
                           yFract="0.25029384"
                           z3="6.33019"
                           zFract="0.28488704"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09433"
                           xFract="0.24814336"
                           y3="0.00794"
                           yFract="0.00094076"
                           z3="4.21325"
                           zFract="0.18961521"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.24209"
                           xFract="0.5026173"
                           y3="6.31233"
                           yFract="0.7479064"
                           z3="8.43308"
                           zFract="0.37952655"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31768"
                           xFract="0.74854028"
                           y3="6.33732"
                           yFract="0.7508673"
                           z3="6.32754"
                           zFract="0.28476778"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.34592"
                           xFract="0.75188626"
                           y3="4.19942"
                           yFract="0.49756161"
                           z3="4.23621"
                           zFract="0.19064851"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33403"
                           xFract="0.75047749"
                           y3="-0.00676"
                           yFract="-0.00080095"
                           z3="8.4461"
                           zFract="0.38011251"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.31802"
                           xFract="0.51161374"
                           y3="2.12533"
                           yFract="0.25181635"
                           z3="8.3611"
                           zFract="0.37628713"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08778"
                           xFract="0.01040047"
                           y3="2.09119"
                           yFract="0.24777133"
                           z3="6.23502"
                           zFract="0.28060396"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.00766"
                           xFract="0.23787441"
                           y3="0.00184"
                           yFract="0.00021801"
                           z3="6.38645"
                           zFract="0.28741899"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00745"
                           xFract="0.0008827"
                           y3="-0.07241"
                           yFract="-0.00857938"
                           z3="4.22581"
                           zFract="0.19018047"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.06261"
                           xFract="0.00741825"
                           y3="-0.00139"
                           yFract="-0.00016469"
                           z3="8.42457"
                           zFract="0.37914356"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18284"
                           xFract="0.25863033"
                           y3="2.08127"
                           yFract="0.24659597"
                           z3="4.21809"
                           zFract="0.18983303"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.19935"
                           xFract="0.26058649"
                           y3="2.04319"
                           yFract="0.24208412"
                           z3="8.57528"
                           zFract="0.38592619"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.10521"
                           xFract="0.48639929"
                           y3="2.18238"
                           yFract="0.25857583"
                           z3="6.2951"
                           zFract="0.28330783"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.42905"
                           xFract="0.76173578"
                           y3="-0.02078"
                           yFract="-0.00246209"
                           z3="6.35086"
                           zFract="0.28581728"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20744"
                           xFract="0.49851185"
                           y3="-0.01164"
                           yFract="-0.00137915"
                           z3="4.22268"
                           zFract="0.1900396"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.16531"
                           xFract="0.49352014"
                           y3="-0.00809"
                           yFract="-0.00095853"
                           z3="8.5095"
                           zFract="0.3829658"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26124"
                           xFract="0.74185308"
                           y3="2.11044"
                           yFract="0.25005213"
                           z3="4.22603"
                           zFract="0.19019037"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30025"
                           xFract="0.74647512"
                           y3="2.12778"
                           yFract="0.25210664"
                           z3="8.53623"
                           zFract="0.38416877"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03661"
                           xFract="0.00433768"
                           y3="6.33631"
                           yFract="0.75074763"
                           z3="6.34223"
                           zFract="0.28542889"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0987"
                           xFract="0.24866114"
                           y3="4.20913"
                           yFract="0.49871209"
                           z3="6.27597"
                           zFract="0.28244689"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.03051"
                           xFract="-0.00361493"
                           y3="4.29732"
                           yFract="0.50916114"
                           z3="4.29275"
                           zFract="0.19319307"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01178"
                           xFract="0.00139573"
                           y3="4.23481"
                           yFract="0.50175474"
                           z3="8.44253"
                           zFract="0.37995185"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11393"
                           xFract="0.25046564"
                           y3="6.3483"
                           yFract="0.75216825"
                           z3="4.19524"
                           zFract="0.18880468"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.09043"
                           xFract="0.24768128"
                           y3="6.37211"
                           yFract="0.75498934"
                           z3="8.47851"
                           zFract="0.38157111"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.1858"
                           xFract="0.49594787"
                           y3="6.26011"
                           yFract="0.74171919"
                           z3="6.30123"
                           zFract="0.28358371"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33479"
                           xFract="0.75056754"
                           y3="4.25187"
                           yFract="0.50377607"
                           z3="6.39464"
                           zFract="0.28778758"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.24346"
                           xFract="0.50277962"
                           y3="4.23005"
                           yFract="0.50119076"
                           z3="4.20053"
                           zFract="0.18904275"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22197"
                           xFract="0.50023341"
                           y3="4.23001"
                           yFract="0.50118602"
                           z3="8.47768"
                           zFract="0.38153375"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32424"
                           xFract="0.74931754"
                           y3="6.32567"
                           yFract="0.74948697"
                           z3="4.17648"
                           zFract="0.1879604"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35105"
                           xFract="0.75249408"
                           y3="6.31063"
                           yFract="0.74770498"
                           z3="8.53361"
                           zFract="0.38405086"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.05956"
                           xFract="0.2440237"
                           y3="2.11654"
                           yFract="0.25077488"
                           z3="9.55929"
                           zFract="0.43021107"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34758"
                           xFract="0.75208294"
                           y3="4.23163"
                           yFract="0.50137796"
                           z3="8.45409"
                           zFract="0.3804721"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12477"
                           xFract="0.25175"
                           y3="-0.08204"
                           yFract="-0.00972038"
                           z3="8.44288"
                           zFract="0.3799676"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01632"
                           xFract="0.00193365"
                           y3="0.01307"
                           yFract="0.00154858"
                           z3="6.36073"
                           zFract="0.28626148"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11089"
                           xFract="0.25010545"
                           y3="6.29932"
                           yFract="0.74636493"
                           z3="6.31311"
                           zFract="0.28411836"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09513"
                           xFract="0.24823815"
                           y3="2.11145"
                           yFract="0.2501718"
                           z3="6.28262"
                           zFract="0.28274617"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21177"
                           xFract="0.49902488"
                           y3="6.32932"
                           yFract="0.74991943"
                           z3="4.24245"
                           zFract="0.19092934"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22244"
                           xFract="0.5002891"
                           y3="2.11008"
                           yFract="0.25000948"
                           z3="4.21131"
                           zFract="0.1895279"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19268"
                           xFract="0.49676303"
                           y3="4.21615"
                           yFract="0.49954384"
                           z3="6.34972"
                           zFract="0.28576598"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.01787"
                           xFract="0.0021173"
                           y3="4.18192"
                           yFract="0.49548815"
                           z3="6.34699"
                           zFract="0.28564311"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00754"
                           xFract="0.00089336"
                           y3="6.32961"
                           yFract="0.74995379"
                           z3="4.25937"
                           zFract="0.19169082"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01212"
                           xFract="-0.00143602"
                           y3="6.32066"
                           yFract="0.74889336"
                           z3="8.37942"
                           zFract="0.37711161"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21992"
                           xFract="0.49999052"
                           y3="0.01384"
                           yFract="0.00163981"
                           z3="6.35173"
                           zFract="0.28585644"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.01436"
                           xFract="0.00170142"
                           y3="2.12179"
                           yFract="0.25139692"
                           z3="4.21195"
                           zFract="0.18955671"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.13986"
                           xFract="-0.01657109"
                           y3="2.14649"
                           yFract="0.25432346"
                           z3="8.45517"
                           zFract="0.3805207"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.09642"
                           xFract="0.248391"
                           y3="4.20246"
                           yFract="0.4979218"
                           z3="4.21334"
                           zFract="0.18961926"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34312"
                           xFract="0.7515545"
                           y3="0.01028"
                           yFract="0.00121801"
                           z3="4.19549"
                           zFract="0.18881593"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10193"
                           xFract="0.24904384"
                           y3="4.34883"
                           yFract="0.51526422"
                           z3="8.49664"
                           zFract="0.38238704"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32822"
                           xFract="0.7497891"
                           y3="2.11225"
                           yFract="0.25026659"
                           z3="6.32791"
                           zFract="0.28478443"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09451"
                           xFract="0.24816469"
                           y3="0.00575"
                           yFract="0.00068128"
                           z3="4.21524"
                           zFract="0.18970477"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.24965"
                           xFract="0.50351303"
                           y3="6.31111"
                           yFract="0.74776185"
                           z3="8.43297"
                           zFract="0.3795216"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31404"
                           xFract="0.748109"
                           y3="6.33682"
                           yFract="0.75080806"
                           z3="6.32248"
                           zFract="0.28454005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.34559"
                           xFract="0.75184716"
                           y3="4.20279"
                           yFract="0.4979609"
                           z3="4.24114"
                           zFract="0.19087039"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33201"
                           xFract="0.75023815"
                           y3="-0.01253"
                           yFract="-0.0014846"
                           z3="8.45191"
                           zFract="0.38037399"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.30461"
                           xFract="0.51002488"
                           y3="2.12723"
                           yFract="0.25204147"
                           z3="8.35612"
                           zFract="0.37606301"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08827"
                           xFract="0.01045853"
                           y3="2.09052"
                           yFract="0.24769194"
                           z3="6.2272"
                           zFract="0.28025203"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99752"
                           xFract="0.23667299"
                           y3="-0.00194"
                           yFract="-0.00022986"
                           z3="6.38797"
                           zFract="0.2874874"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00748"
                           xFract="0.00088626"
                           y3="-0.07187"
                           yFract="-0.0085154"
                           z3="4.22801"
                           zFract="0.19027948"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.0642"
                           xFract="0.00760664"
                           y3="0.00276"
                           yFract="0.00032701"
                           z3="8.4200"
                           zFract="0.37893789"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18197"
                           xFract="0.25852725"
                           y3="2.07609"
                           yFract="0.24598223"
                           z3="4.20564"
                           zFract="0.18927273"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.20844"
                           xFract="0.26166351"
                           y3="2.03346"
                           yFract="0.24093128"
                           z3="8.59986"
                           zFract="0.3870324"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.10355"
                           xFract="0.48620261"
                           y3="2.18237"
                           yFract="0.25857464"
                           z3="6.29845"
                           zFract="0.2834586"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.44457"
                           xFract="0.76357464"
                           y3="-0.02131"
                           yFract="-0.00252488"
                           z3="6.35937"
                           zFract="0.28620027"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20878"
                           xFract="0.49867062"
                           y3="-0.01284"
                           yFract="-0.00152133"
                           z3="4.23442"
                           zFract="0.19056796"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.16895"
                           xFract="0.49395142"
                           y3="-0.02133"
                           yFract="-0.00252725"
                           z3="8.50613"
                           zFract="0.38281413"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26145"
                           xFract="0.74187796"
                           y3="2.10736"
                           yFract="0.2496872"
                           z3="4.22929"
                           zFract="0.19033708"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28633"
                           xFract="0.74482583"
                           y3="2.12049"
                           yFract="0.25124289"
                           z3="8.55058"
                           zFract="0.38481458"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03426"
                           xFract="0.00405924"
                           y3="6.33767"
                           yFract="0.75090877"
                           z3="6.34456"
                           zFract="0.28553375"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0965"
                           xFract="0.24840047"
                           y3="4.21194"
                           yFract="0.49904502"
                           z3="6.27574"
                           zFract="0.28243654"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.03595"
                           xFract="-0.00425948"
                           y3="4.29705"
                           yFract="0.50912915"
                           z3="4.29766"
                           zFract="0.19341404"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.02047"
                           xFract="0.00242536"
                           y3="4.23369"
                           yFract="0.50162204"
                           z3="8.44139"
                           zFract="0.37990054"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11511"
                           xFract="0.25060545"
                           y3="6.34955"
                           yFract="0.75231635"
                           z3="4.1945"
                           zFract="0.18877138"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08839"
                           xFract="0.24743957"
                           y3="6.37311"
                           yFract="0.75510782"
                           z3="8.4809"
                           zFract="0.38167867"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.18655"
                           xFract="0.49603673"
                           y3="6.25981"
                           yFract="0.74168365"
                           z3="6.30645"
                           zFract="0.28381863"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33511"
                           xFract="0.75060545"
                           y3="4.25123"
                           yFract="0.50370024"
                           z3="6.40419"
                           zFract="0.28821737"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.24658"
                           xFract="0.50314929"
                           y3="4.23079"
                           yFract="0.50127844"
                           z3="4.19636"
                           zFract="0.18885509"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21864"
                           xFract="0.49983886"
                           y3="4.23964"
                           yFract="0.50232701"
                           z3="8.48107"
                           zFract="0.38168632"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32227"
                           xFract="0.74908412"
                           y3="6.32959"
                           yFract="0.74995142"
                           z3="4.18312"
                           zFract="0.18825923"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35457"
                           xFract="0.75291114"
                           y3="6.31642"
                           yFract="0.748391"
                           z3="8.54257"
                           zFract="0.3844541"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a36" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.05627"
                           xFract="0.24363389"
                           y3="2.11681"
                           yFract="0.25080687"
                           z3="9.56597"
                           zFract="0.4305117"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34715"
                           xFract="0.75203199"
                           y3="4.23459"
                           yFract="0.50172867"
                           z3="8.45933"
                           zFract="0.38070792"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12719"
                           xFract="0.25203673"
                           y3="-0.07509"
                           yFract="-0.00889692"
                           z3="8.44827"
                           zFract="0.38021017"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01872"
                           xFract="0.00221801"
                           y3="0.01254"
                           yFract="0.00148578"
                           z3="6.36177"
                           zFract="0.28630828"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11081"
                           xFract="0.25009597"
                           y3="6.29825"
                           yFract="0.74623815"
                           z3="6.31207"
                           zFract="0.28407156"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09398"
                           xFract="0.2481019"
                           y3="2.11172"
                           yFract="0.25020379"
                           z3="6.28608"
                           zFract="0.28290189"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21247"
                           xFract="0.49910782"
                           y3="6.32834"
                           yFract="0.74980332"
                           z3="4.2412"
                           zFract="0.19087309"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22151"
                           xFract="0.50017891"
                           y3="2.11076"
                           yFract="0.25009005"
                           z3="4.21046"
                           zFract="0.18948965"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19069"
                           xFract="0.49652725"
                           y3="4.21721"
                           yFract="0.49966943"
                           z3="6.34968"
                           zFract="0.28576418"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.01872"
                           xFract="0.00221801"
                           y3="4.18057"
                           yFract="0.4953282"
                           z3="6.34857"
                           zFract="0.28571422"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00669"
                           xFract="0.00079265"
                           y3="6.32875"
                           yFract="0.7498519"
                           z3="4.26053"
                           zFract="0.19174302"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.0134"
                           xFract="-0.00158768"
                           y3="6.32186"
                           yFract="0.74903555"
                           z3="8.37964"
                           zFract="0.37712151"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21884"
                           xFract="0.49986256"
                           y3="0.01428"
                           yFract="0.00169194"
                           z3="6.35407"
                           zFract="0.28596175"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.01608"
                           xFract="0.00190521"
                           y3="2.12278"
                           yFract="0.25151422"
                           z3="4.20718"
                           zFract="0.18934203"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.13631"
                           xFract="-0.01615047"
                           y3="2.14911"
                           yFract="0.25463389"
                           z3="8.45485"
                           zFract="0.3805063"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.09614"
                           xFract="0.24835782"
                           y3="4.20206"
                           yFract="0.49787441"
                           z3="4.21093"
                           zFract="0.1895108"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34308"
                           xFract="0.75154976"
                           y3="0.00903"
                           yFract="0.00106991"
                           z3="4.19596"
                           zFract="0.18883708"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10279"
                           xFract="0.24914573"
                           y3="4.34667"
                           yFract="0.51500829"
                           z3="8.50045"
                           zFract="0.38255851"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32751"
                           xFract="0.74970498"
                           y3="2.11215"
                           yFract="0.25025474"
                           z3="6.32686"
                           zFract="0.28473717"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09459"
                           xFract="0.24817417"
                           y3="0.00475"
                           yFract="0.0005628"
                           z3="4.21616"
                           zFract="0.18974617"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25312"
                           xFract="0.50392417"
                           y3="6.31055"
                           yFract="0.7476955"
                           z3="8.43292"
                           zFract="0.37951935"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31237"
                           xFract="0.74791114"
                           y3="6.33659"
                           yFract="0.75078081"
                           z3="6.32016"
                           zFract="0.28443564"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.34544"
                           xFract="0.75182938"
                           y3="4.20434"
                           yFract="0.49814455"
                           z3="4.2434"
                           zFract="0.1909721"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33109"
                           xFract="0.75012915"
                           y3="-0.01517"
                           yFract="-0.00179739"
                           z3="8.45458"
                           zFract="0.38049415"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.29846"
                           xFract="0.50929621"
                           y3="2.12811"
                           yFract="0.25214573"
                           z3="8.35383"
                           zFract="0.37595995"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08849"
                           xFract="0.0104846"
                           y3="2.09022"
                           yFract="0.2476564"
                           z3="6.22361"
                           zFract="0.28009046"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99287"
                           xFract="0.23612204"
                           y3="-0.00368"
                           yFract="-0.00043602"
                           z3="6.38866"
                           zFract="0.28751845"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00749"
                           xFract="0.00088744"
                           y3="-0.07163"
                           yFract="-0.00848697"
                           z3="4.22902"
                           zFract="0.19032493"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.06493"
                           xFract="0.00769313"
                           y3="0.00467"
                           yFract="0.00055332"
                           z3="8.41791"
                           zFract="0.37884383"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18158"
                           xFract="0.25848104"
                           y3="2.07372"
                           yFract="0.24570142"
                           z3="4.19992"
                           zFract="0.1890153"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.21262"
                           xFract="0.26215877"
                           y3="2.0290"
                           yFract="0.24040284"
                           z3="8.61113"
                           zFract="0.3875396"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.10279"
                           xFract="0.48611256"
                           y3="2.18236"
                           yFract="0.25857346"
                           z3="6.29998"
                           zFract="0.28352745"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.45168"
                           xFract="0.76441706"
                           y3="-0.02156"
                           yFract="-0.0025545"
                           z3="6.36328"
                           zFract="0.28637624"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20939"
                           xFract="0.49874289"
                           y3="-0.01339"
                           yFract="-0.00158649"
                           z3="4.2398"
                           zFract="0.19081008"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.17062"
                           xFract="0.49414929"
                           y3="-0.02741"
                           yFract="-0.00324763"
                           z3="8.50459"
                           zFract="0.38274482"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26155"
                           xFract="0.74188981"
                           y3="2.10594"
                           yFract="0.24951896"
                           z3="4.23079"
                           zFract="0.19040459"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.27995"
                           xFract="0.74406991"
                           y3="2.11714"
                           yFract="0.25084597"
                           z3="8.55716"
                           zFract="0.38511071"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.03319"
                           xFract="0.00393246"
                           y3="6.33829"
                           yFract="0.75098223"
                           z3="6.34563"
                           zFract="0.28558191"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09549"
                           xFract="0.24828081"
                           y3="4.21323"
                           yFract="0.49919787"
                           z3="6.27564"
                           zFract="0.28243204"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.03845"
                           xFract="-0.00455569"
                           y3="4.29692"
                           yFract="0.50911374"
                           z3="4.29991"
                           zFract="0.1935153"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.02445"
                           xFract="0.00289692"
                           y3="4.23317"
                           yFract="0.50156043"
                           z3="8.44086"
                           zFract="0.37987669"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11565"
                           xFract="0.25066943"
                           y3="6.35012"
                           yFract="0.75238389"
                           z3="4.19416"
                           zFract="0.18875608"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08745"
                           xFract="0.2473282"
                           y3="6.37356"
                           yFract="0.75516114"
                           z3="8.4820"
                           zFract="0.38172817"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.18689"
                           xFract="0.49607701"
                           y3="6.25967"
                           yFract="0.74166706"
                           z3="6.30884"
                           zFract="0.28392619"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33525"
                           xFract="0.75062204"
                           y3="4.25094"
                           yFract="0.50366588"
                           z3="6.40857"
                           zFract="0.28841449"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.24801"
                           xFract="0.50331872"
                           y3="4.23113"
                           yFract="0.50131872"
                           z3="4.19445"
                           zFract="0.18876913"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21711"
                           xFract="0.49965758"
                           y3="4.24405"
                           yFract="0.50284953"
                           z3="8.48262"
                           zFract="0.38175608"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32136"
                           xFract="0.7489763"
                           y3="6.33139"
                           yFract="0.75016469"
                           z3="4.18616"
                           zFract="0.18839604"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35618"
                           xFract="0.7531019"
                           y3="6.31907"
                           yFract="0.74870498"
                           z3="8.54668"
                           zFract="0.38463906"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a36" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.05082"
                           xFract="0.24298815"
                           y3="2.11843"
                           yFract="0.25099882"
                           z3="9.58084"
                           zFract="0.43118092"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3453"
                           xFract="0.7518128"
                           y3="4.23223"
                           yFract="0.50144905"
                           z3="8.46721"
                           zFract="0.38106256"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12927"
                           xFract="0.25228318"
                           y3="-0.0781"
                           yFract="-0.00925355"
                           z3="8.45644"
                           zFract="0.38057786"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01726"
                           xFract="0.00204502"
                           y3="0.0112"
                           yFract="0.00132701"
                           z3="6.36301"
                           zFract="0.28636409"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10993"
                           xFract="0.24999171"
                           y3="6.30004"
                           yFract="0.74645024"
                           z3="6.31792"
                           zFract="0.28433483"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09021"
                           xFract="0.24765521"
                           y3="2.11162"
                           yFract="0.25019194"
                           z3="6.28447"
                           zFract="0.28282943"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21248"
                           xFract="0.499109"
                           y3="6.32831"
                           yFract="0.74979976"
                           z3="4.24127"
                           zFract="0.19087624"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22095"
                           xFract="0.50011256"
                           y3="2.11062"
                           yFract="0.25007346"
                           z3="4.2090"
                           zFract="0.18942394"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18971"
                           xFract="0.49641114"
                           y3="4.22089"
                           yFract="0.50010545"
                           z3="6.35045"
                           zFract="0.28579883"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.01768"
                           xFract="0.00209479"
                           y3="4.18075"
                           yFract="0.49534953"
                           z3="6.35034"
                           zFract="0.28579388"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00601"
                           xFract="0.00071209"
                           y3="6.32844"
                           yFract="0.74981517"
                           z3="4.26104"
                           zFract="0.19176598"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.00918"
                           xFract="-0.00108768"
                           y3="6.3250"
                           yFract="0.74940758"
                           z3="8.38304"
                           zFract="0.37727453"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21833"
                           xFract="0.49980213"
                           y3="0.01169"
                           yFract="0.00138507"
                           z3="6.35768"
                           zFract="0.28612421"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.01785"
                           xFract="0.00211493"
                           y3="2.12433"
                           yFract="0.25169787"
                           z3="4.20065"
                           zFract="0.18904815"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.13594"
                           xFract="-0.01610664"
                           y3="2.15239"
                           yFract="0.25502251"
                           z3="8.45228"
                           zFract="0.38039064"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.0946"
                           xFract="0.24817536"
                           y3="4.20142"
                           yFract="0.49779858"
                           z3="4.20837"
                           zFract="0.18939559"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34272"
                           xFract="0.75150711"
                           y3="0.00877"
                           yFract="0.0010391"
                           z3="4.20053"
                           zFract="0.18904275"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10468"
                           xFract="0.24936967"
                           y3="4.34556"
                           yFract="0.51487678"
                           z3="8.50672"
                           zFract="0.38284068"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32784"
                           xFract="0.74974408"
                           y3="2.11045"
                           yFract="0.25005332"
                           z3="6.33064"
                           zFract="0.28490729"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09579"
                           xFract="0.24831635"
                           y3="0.00231"
                           yFract="0.0002737"
                           z3="4.21764"
                           zFract="0.18981278"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25207"
                           xFract="0.50379976"
                           y3="6.3110"
                           yFract="0.74774882"
                           z3="8.43516"
                           zFract="0.37962016"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31092"
                           xFract="0.74773934"
                           y3="6.33707"
                           yFract="0.75083768"
                           z3="6.31859"
                           zFract="0.28436499"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.34497"
                           xFract="0.7517737"
                           y3="4.20502"
                           yFract="0.49822512"
                           z3="4.24626"
                           zFract="0.19110081"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32956"
                           xFract="0.74994787"
                           y3="-0.01215"
                           yFract="-0.00143957"
                           z3="8.46058"
                           zFract="0.38076418"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.29888"
                           xFract="0.50934597"
                           y3="2.12988"
                           yFract="0.25235545"
                           z3="8.35847"
                           zFract="0.37616877"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08775"
                           xFract="0.01039692"
                           y3="2.09053"
                           yFract="0.24769313"
                           z3="6.22236"
                           zFract="0.2800342"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99071"
                           xFract="0.23586611"
                           y3="-0.0036"
                           yFract="-0.00042654"
                           z3="6.38921"
                           zFract="0.2875432"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00659"
                           xFract="0.00078081"
                           y3="-0.0692"
                           yFract="-0.00819905"
                           z3="4.23067"
                           zFract="0.19039919"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.06728"
                           xFract="0.00797156"
                           y3="0.0121"
                           yFract="0.00143365"
                           z3="8.4160"
                           zFract="0.37875788"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.17892"
                           xFract="0.25816588"
                           y3="2.07286"
                           yFract="0.24559953"
                           z3="4.19806"
                           zFract="0.18893159"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.21906"
                           xFract="0.2629218"
                           y3="2.02272"
                           yFract="0.23965877"
                           z3="8.62321"
                           zFract="0.38808326"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.10068"
                           xFract="0.48586256"
                           y3="2.18069"
                           yFract="0.25837559"
                           z3="6.30222"
                           zFract="0.28362826"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.46211"
                           xFract="0.76565284"
                           y3="-0.01957"
                           yFract="-0.00231872"
                           z3="6.36748"
                           zFract="0.28656526"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21128"
                           xFract="0.49896682"
                           y3="-0.01291"
                           yFract="-0.00152962"
                           z3="4.24846"
                           zFract="0.19119982"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.17209"
                           xFract="0.49432346"
                           y3="-0.03544"
                           yFract="-0.00419905"
                           z3="8.49722"
                           zFract="0.38241314"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26372"
                           xFract="0.74214692"
                           y3="2.1034"
                           yFract="0.24921801"
                           z3="4.23233"
                           zFract="0.1904739"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26864"
                           xFract="0.74272986"
                           y3="2.1125"
                           yFract="0.25029621"
                           z3="8.56277"
                           zFract="0.38536319"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02962"
                           xFract="0.00350948"
                           y3="6.3379"
                           yFract="0.75093602"
                           z3="6.34531"
                           zFract="0.28556751"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09688"
                           xFract="0.2484455"
                           y3="4.21097"
                           yFract="0.49893009"
                           z3="6.27559"
                           zFract="0.28242979"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.04219"
                           xFract="-0.00499882"
                           y3="4.29413"
                           yFract="0.50878318"
                           z3="4.3008"
                           zFract="0.19355536"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03042"
                           xFract="0.00360427"
                           y3="4.22929"
                           yFract="0.50110071"
                           z3="8.44177"
                           zFract="0.37991764"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11605"
                           xFract="0.25071682"
                           y3="6.34899"
                           yFract="0.75225"
                           z3="4.19395"
                           zFract="0.18874662"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08534"
                           xFract="0.2470782"
                           y3="6.37916"
                           yFract="0.75582464"
                           z3="8.4802"
                           zFract="0.38164716"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.1892"
                           xFract="0.49635071"
                           y3="6.26275"
                           yFract="0.74203199"
                           z3="6.30841"
                           zFract="0.28390684"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33367"
                           xFract="0.75043483"
                           y3="4.24787"
                           yFract="0.50330213"
                           z3="6.4152"
                           zFract="0.28871287"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.25045"
                           xFract="0.50360782"
                           y3="4.23052"
                           yFract="0.50124645"
                           z3="4.1956"
                           zFract="0.18882088"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21273"
                           xFract="0.49913863"
                           y3="4.24788"
                           yFract="0.50330332"
                           z3="8.48346"
                           zFract="0.38179388"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32045"
                           xFract="0.74886848"
                           y3="6.33459"
                           yFract="0.75054384"
                           z3="4.18922"
                           zFract="0.18853375"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36134"
                           xFract="0.75371327"
                           y3="6.32256"
                           yFract="0.74911848"
                           z3="8.55149"
                           zFract="0.38485554"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a36" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.03687"
                           xFract="0.24133531"
                           y3="2.12257"
                           yFract="0.25148934"
                           z3="9.61888"
                           zFract="0.43289289"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34055"
                           xFract="0.75125"
                           y3="4.22622"
                           yFract="0.50073697"
                           z3="8.48736"
                           zFract="0.3819694"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13461"
                           xFract="0.25291588"
                           y3="-0.0858"
                           yFract="-0.01016588"
                           z3="8.47732"
                           zFract="0.38151755"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01352"
                           xFract="0.0016019"
                           y3="0.00776"
                           yFract="0.00091943"
                           z3="6.36617"
                           zFract="0.2865063"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10769"
                           xFract="0.2497263"
                           y3="6.30463"
                           yFract="0.74699408"
                           z3="6.33288"
                           zFract="0.2850081"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08059"
                           xFract="0.2465154"
                           y3="2.11137"
                           yFract="0.25016232"
                           z3="6.28034"
                           zFract="0.28264356"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21252"
                           xFract="0.49911374"
                           y3="6.32823"
                           yFract="0.74979028"
                           z3="4.24147"
                           zFract="0.19088524"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.21951"
                           xFract="0.49994194"
                           y3="2.11027"
                           yFract="0.25003199"
                           z3="4.20525"
                           zFract="0.18925518"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18722"
                           xFract="0.49611611"
                           y3="4.23029"
                           yFract="0.50121919"
                           z3="6.35242"
                           zFract="0.28588749"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0150"
                           xFract="0.00177725"
                           y3="4.1812"
                           yFract="0.49540284"
                           z3="6.35487"
                           zFract="0.28599775"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00428"
                           xFract="0.00050711"
                           y3="6.32764"
                           yFract="0.74972038"
                           z3="4.26237"
                           zFract="0.19182583"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00161"
                           xFract="0.00019076"
                           y3="6.33302"
                           yFract="0.75035782"
                           z3="8.39175"
                           zFract="0.37766652"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21703"
                           xFract="0.4996481"
                           y3="0.00506"
                           yFract="0.00059953"
                           z3="6.36693"
                           zFract="0.2865405"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.02238"
                           xFract="0.00265166"
                           y3="2.12831"
                           yFract="0.25216943"
                           z3="4.18393"
                           zFract="0.18829568"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.13499"
                           xFract="-0.01599408"
                           y3="2.16075"
                           yFract="0.25601303"
                           z3="8.4457"
                           zFract="0.38009451"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.09068"
                           xFract="0.2477109"
                           y3="4.19978"
                           yFract="0.49760427"
                           z3="4.2018"
                           zFract="0.18909991"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3418"
                           xFract="0.7513981"
                           y3="0.00811"
                           yFract="0.0009609"
                           z3="4.21223"
                           zFract="0.18956931"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10952"
                           xFract="0.24994313"
                           y3="4.34273"
                           yFract="0.51454147"
                           z3="8.52274"
                           zFract="0.38356166"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32869"
                           xFract="0.74984479"
                           y3="2.10611"
                           yFract="0.2495391"
                           z3="6.34031"
                           zFract="0.28534248"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09885"
                           xFract="0.24867891"
                           y3="-0.00392"
                           yFract="-0.00046445"
                           z3="4.22143"
                           zFract="0.18998335"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.24937"
                           xFract="0.50347986"
                           y3="6.31217"
                           yFract="0.74788744"
                           z3="8.44089"
                           zFract="0.37987804"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30723"
                           xFract="0.74730213"
                           y3="6.33831"
                           yFract="0.7509846"
                           z3="6.31457"
                           zFract="0.28418407"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.34376"
                           xFract="0.75163033"
                           y3="4.20677"
                           yFract="0.49843246"
                           z3="4.25357"
                           zFract="0.19142979"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32566"
                           xFract="0.74948578"
                           y3="-0.00443"
                           yFract="-0.00052488"
                           z3="8.47593"
                           zFract="0.381455"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.29995"
                           xFract="0.50947275"
                           y3="2.13441"
                           yFract="0.25289218"
                           z3="8.37034"
                           zFract="0.37670297"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08586"
                           xFract="0.01017299"
                           y3="2.09133"
                           yFract="0.24778791"
                           z3="6.21915"
                           zFract="0.27988974"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.98519"
                           xFract="0.23521209"
                           y3="-0.0034"
                           yFract="-0.00040284"
                           z3="6.3906"
                           zFract="0.28760576"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00429"
                           xFract="0.00050829"
                           y3="-0.06299"
                           yFract="-0.00746327"
                           z3="4.23489"
                           zFract="0.19058911"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07327"
                           xFract="0.00868128"
                           y3="0.03112"
                           yFract="0.0036872"
                           z3="8.41111"
                           zFract="0.3785378"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.17213"
                           xFract="0.25736137"
                           y3="2.07068"
                           yFract="0.24534123"
                           z3="4.19328"
                           zFract="0.18871647"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.23552"
                           xFract="0.26487204"
                           y3="2.00668"
                           yFract="0.23775829"
                           z3="8.65408"
                           zFract="0.38947255"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.0953"
                           xFract="0.48522512"
                           y3="2.1764"
                           yFract="0.2578673"
                           z3="6.30796"
                           zFract="0.28388659"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48877"
                           xFract="0.76881161"
                           y3="-0.01449"
                           yFract="-0.00171682"
                           z3="6.37823"
                           zFract="0.28704905"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21609"
                           xFract="0.49953673"
                           y3="-0.0117"
                           yFract="-0.00138626"
                           z3="4.2706"
                           zFract="0.19219622"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.17585"
                           xFract="0.49476896"
                           y3="-0.05599"
                           yFract="-0.00663389"
                           z3="8.47839"
                           zFract="0.38156571"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26929"
                           xFract="0.74280687"
                           y3="2.09691"
                           yFract="0.24844905"
                           z3="4.23627"
                           zFract="0.19065122"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.23973"
                           xFract="0.7393045"
                           y3="2.10064"
                           yFract="0.248891"
                           z3="8.57711"
                           zFract="0.38600855"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02051"
                           xFract="0.00243009"
                           y3="6.33689"
                           yFract="0.75081635"
                           z3="6.3445"
                           zFract="0.28553105"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10045"
                           xFract="0.24886848"
                           y3="4.20519"
                           yFract="0.49824526"
                           z3="6.27547"
                           zFract="0.28242439"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.05175"
                           xFract="-0.00613152"
                           y3="4.28698"
                           yFract="0.50793602"
                           z3="4.30305"
                           zFract="0.19365662"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04568"
                           xFract="0.00541232"
                           y3="4.21938"
                           yFract="0.49992654"
                           z3="8.44409"
                           zFract="0.38002205"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11706"
                           xFract="0.25083649"
                           y3="6.34611"
                           yFract="0.75190877"
                           z3="4.19343"
                           zFract="0.18872322"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07997"
                           xFract="0.24644194"
                           y3="6.39348"
                           yFract="0.75752133"
                           z3="8.47562"
                           zFract="0.38144104"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19512"
                           xFract="0.49705213"
                           y3="6.27063"
                           yFract="0.74296564"
                           z3="6.30732"
                           zFract="0.28385779"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32962"
                           xFract="0.74995498"
                           y3="4.24004"
                           yFract="0.50237441"
                           z3="6.43216"
                           zFract="0.28947615"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.25667"
                           xFract="0.50434479"
                           y3="4.22896"
                           yFract="0.50106161"
                           z3="4.19857"
                           zFract="0.18895455"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20155"
                           xFract="0.49781398"
                           y3="4.25767"
                           yFract="0.50446327"
                           z3="8.48561"
                           zFract="0.38189064"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.31811"
                           xFract="0.74859123"
                           y3="6.34277"
                           yFract="0.75151303"
                           z3="4.19704"
                           zFract="0.18888569"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37455"
                           xFract="0.75527844"
                           y3="6.33147"
                           yFract="0.75017417"
                           z3="8.56381"
                           zFract="0.38540999"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a36" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.03464"
                           xFract="0.24107109"
                           y3="2.12272"
                           yFract="0.25150711"
                           z3="9.62078"
                           zFract="0.4329784"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33954"
                           xFract="0.75113033"
                           y3="4.22411"
                           yFract="0.50048697"
                           z3="8.49241"
                           zFract="0.38219667"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13519"
                           xFract="0.2529846"
                           y3="-0.08783"
                           yFract="-0.0104064"
                           z3="8.48262"
                           zFract="0.38175608"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01403"
                           xFract="0.00166232"
                           y3="0.00782"
                           yFract="0.00092654"
                           z3="6.3670"
                           zFract="0.28654365"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.1066"
                           xFract="0.24959716"
                           y3="6.30617"
                           yFract="0.74717654"
                           z3="6.33747"
                           zFract="0.28521467"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07875"
                           xFract="0.24629739"
                           y3="2.11092"
                           yFract="0.250109"
                           z3="6.2776"
                           zFract="0.28252025"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21179"
                           xFract="0.49902725"
                           y3="6.3285"
                           yFract="0.74982227"
                           z3="4.24197"
                           zFract="0.19090774"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.21968"
                           xFract="0.49996209"
                           y3="2.10999"
                           yFract="0.24999882"
                           z3="4.20575"
                           zFract="0.18927768"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.1868"
                           xFract="0.49606635"
                           y3="4.23136"
                           yFract="0.50134597"
                           z3="6.35355"
                           zFract="0.28593834"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0139"
                           xFract="0.00164692"
                           y3="4.1818"
                           yFract="0.49547393"
                           z3="6.35607"
                           zFract="0.28605176"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00433"
                           xFract="0.00051303"
                           y3="6.32779"
                           yFract="0.74973815"
                           z3="4.26229"
                           zFract="0.19182223"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00443"
                           xFract="0.00052488"
                           y3="6.33511"
                           yFract="0.75060545"
                           z3="8.3941"
                           zFract="0.37777228"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21686"
                           xFract="0.49962796"
                           y3="0.00333"
                           yFract="0.00039455"
                           z3="6.36941"
                           zFract="0.28665212"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.02292"
                           xFract="0.00271564"
                           y3="2.12927"
                           yFract="0.25228318"
                           z3="4.1810"
                           zFract="0.18816382"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.13665"
                           xFract="-0.01619076"
                           y3="2.16284"
                           yFract="0.25626066"
                           z3="8.44272"
                           zFract="0.3799604"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08938"
                           xFract="0.24755687"
                           y3="4.19926"
                           yFract="0.49754265"
                           z3="4.20123"
                           zFract="0.18907426"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34165"
                           xFract="0.75138033"
                           y3="0.00924"
                           yFract="0.00109479"
                           z3="4.21629"
                           zFract="0.18975203"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1108"
                           xFract="0.25009479"
                           y3="4.34225"
                           yFract="0.5144846"
                           z3="8.52732"
                           zFract="0.38376778"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32872"
                           xFract="0.74984834"
                           y3="2.10452"
                           yFract="0.24935071"
                           z3="6.34436"
                           zFract="0.28552475"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09956"
                           xFract="0.24876303"
                           y3="-0.00589"
                           yFract="-0.00069787"
                           z3="4.22287"
                           zFract="0.19004815"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.24886"
                           xFract="0.50341943"
                           y3="6.31183"
                           yFract="0.74784716"
                           z3="8.4434"
                           zFract="0.379991"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30711"
                           xFract="0.74728791"
                           y3="6.33875"
                           yFract="0.75103673"
                           z3="6.31624"
                           zFract="0.28425923"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.34303"
                           xFract="0.75154384"
                           y3="4.20582"
                           yFract="0.49831991"
                           z3="4.25556"
                           zFract="0.19151935"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32511"
                           xFract="0.74942062"
                           y3="-0.0014"
                           yFract="-0.00016588"
                           z3="8.48099"
                           zFract="0.38168272"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.29849"
                           xFract="0.50929976"
                           y3="2.13627"
                           yFract="0.25311256"
                           z3="8.3756"
                           zFract="0.37693969"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08442"
                           xFract="0.01000237"
                           y3="2.09199"
                           yFract="0.24786611"
                           z3="6.21917"
                           zFract="0.27989064"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.98348"
                           xFract="0.23500948"
                           y3="-0.00291"
                           yFract="-0.00034479"
                           z3="6.39121"
                           zFract="0.28763321"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00367"
                           xFract="0.00043483"
                           y3="-0.06168"
                           yFract="-0.00730806"
                           z3="4.23627"
                           zFract="0.19065122"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07615"
                           xFract="0.00902251"
                           y3="0.03788"
                           yFract="0.00448815"
                           z3="8.41077"
                           zFract="0.3785225"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.17081"
                           xFract="0.25720498"
                           y3="2.07093"
                           yFract="0.24537085"
                           z3="4.19372"
                           zFract="0.18873627"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.24013"
                           xFract="0.26541825"
                           y3="2.00202"
                           yFract="0.23720616"
                           z3="8.67448"
                           zFract="0.39039064"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.09325"
                           xFract="0.48498223"
                           y3="2.17451"
                           yFract="0.25764336"
                           z3="6.30995"
                           zFract="0.28397615"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49541"
                           xFract="0.76959834"
                           y3="-0.01228"
                           yFract="-0.00145498"
                           z3="6.3814"
                           zFract="0.28719172"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21718"
                           xFract="0.49966588"
                           y3="-0.01101"
                           yFract="-0.0013045"
                           z3="4.27633"
                           zFract="0.1924541"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.17547"
                           xFract="0.49472393"
                           y3="-0.06239"
                           yFract="-0.00739218"
                           z3="8.47174"
                           zFract="0.38126643"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.27065"
                           xFract="0.74296801"
                           y3="2.09479"
                           yFract="0.24819787"
                           z3="4.23703"
                           zFract="0.19068542"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.23418"
                           xFract="0.73864692"
                           y3="2.09748"
                           yFract="0.24851659"
                           z3="8.58182"
                           zFract="0.38622052"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01825"
                           xFract="0.00216232"
                           y3="6.3356"
                           yFract="0.75066351"
                           z3="6.34482"
                           zFract="0.28554545"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10139"
                           xFract="0.24897986"
                           y3="4.20411"
                           yFract="0.4981173"
                           z3="6.2750"
                           zFract="0.28240324"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.05517"
                           xFract="-0.00653673"
                           y3="4.28569"
                           yFract="0.50778318"
                           z3="4.30347"
                           zFract="0.19367552"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04992"
                           xFract="0.00591469"
                           y3="4.21639"
                           yFract="0.49957227"
                           z3="8.44603"
                           zFract="0.38010936"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11692"
                           xFract="0.25081991"
                           y3="6.34449"
                           yFract="0.75171682"
                           z3="4.1941"
                           zFract="0.18875338"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07777"
                           xFract="0.24618128"
                           y3="6.39723"
                           yFract="0.75796564"
                           z3="8.47396"
                           zFract="0.38136634"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19688"
                           xFract="0.49726066"
                           y3="6.2737"
                           yFract="0.74332938"
                           z3="6.30611"
                           zFract="0.28380333"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32786"
                           xFract="0.74974645"
                           y3="4.23708"
                           yFract="0.5020237"
                           z3="6.43766"
                           zFract="0.28972367"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.25918"
                           xFract="0.50464218"
                           y3="4.22841"
                           yFract="0.50099645"
                           z3="4.20061"
                           zFract="0.18904635"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.19739"
                           xFract="0.49732109"
                           y3="4.2613"
                           yFract="0.50489336"
                           z3="8.4865"
                           zFract="0.38193069"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.31793"
                           xFract="0.74856991"
                           y3="6.3449"
                           yFract="0.7517654"
                           z3="4.19781"
                           zFract="0.18892034"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37931"
                           xFract="0.75584242"
                           y3="6.33327"
                           yFract="0.75038744"
                           z3="8.5672"
                           zFract="0.38556256"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a36" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.03353"
                           xFract="0.24093957"
                           y3="2.1228"
                           yFract="0.25151659"
                           z3="9.62173"
                           zFract="0.43302115"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33903"
                           xFract="0.75106991"
                           y3="4.22306"
                           yFract="0.50036256"
                           z3="8.49493"
                           zFract="0.38231008"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13547"
                           xFract="0.25301777"
                           y3="-0.08884"
                           yFract="-0.01052607"
                           z3="8.48526"
                           zFract="0.38187489"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01429"
                           xFract="0.00169313"
                           y3="0.00786"
                           yFract="0.00093128"
                           z3="6.36741"
                           zFract="0.28656211"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10606"
                           xFract="0.24953318"
                           y3="6.30694"
                           yFract="0.74726777"
                           z3="6.33975"
                           zFract="0.28531728"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07784"
                           xFract="0.24618957"
                           y3="2.11069"
                           yFract="0.25008175"
                           z3="6.27624"
                           zFract="0.28245905"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21143"
                           xFract="0.4989846"
                           y3="6.32863"
                           yFract="0.74983768"
                           z3="4.24222"
                           zFract="0.19091899"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.21976"
                           xFract="0.49997156"
                           y3="2.10986"
                           yFract="0.24998341"
                           z3="4.2060"
                           zFract="0.18928893"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18659"
                           xFract="0.49604147"
                           y3="4.23189"
                           yFract="0.50140877"
                           z3="6.35412"
                           zFract="0.285964"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.01335"
                           xFract="0.00158175"
                           y3="4.18209"
                           yFract="0.49550829"
                           z3="6.35667"
                           zFract="0.28607876"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00435"
                           xFract="0.0005154"
                           y3="6.32787"
                           yFract="0.74974763"
                           z3="4.26225"
                           zFract="0.19182043"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00583"
                           xFract="0.00069076"
                           y3="6.33615"
                           yFract="0.75072867"
                           z3="8.39527"
                           zFract="0.37782493"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21677"
                           xFract="0.4996173"
                           y3="0.00248"
                           yFract="0.00029384"
                           z3="6.37064"
                           zFract="0.28670747"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.02319"
                           xFract="0.00274763"
                           y3="2.12974"
                           yFract="0.25233886"
                           z3="4.17955"
                           zFract="0.18809856"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.13748"
                           xFract="-0.0162891"
                           y3="2.16389"
                           yFract="0.25638507"
                           z3="8.44123"
                           zFract="0.37989334"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08873"
                           xFract="0.24747986"
                           y3="4.1990"
                           yFract="0.49751185"
                           z3="4.20095"
                           zFract="0.18906166"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34158"
                           xFract="0.75137204"
                           y3="0.0098"
                           yFract="0.00116114"
                           z3="4.2183"
                           zFract="0.18984248"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11144"
                           xFract="0.25017062"
                           y3="4.34202"
                           yFract="0.51445735"
                           z3="8.5296"
                           zFract="0.38387039"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32874"
                           xFract="0.74985071"
                           y3="2.10374"
                           yFract="0.24925829"
                           z3="6.34638"
                           zFract="0.28561566"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09991"
                           xFract="0.2488045"
                           y3="-0.00686"
                           yFract="-0.0008128"
                           z3="4.22359"
                           zFract="0.19008056"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2486"
                           xFract="0.50338863"
                           y3="6.31166"
                           yFract="0.74782701"
                           z3="8.44465"
                           zFract="0.38004725"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30706"
                           xFract="0.74728199"
                           y3="6.33896"
                           yFract="0.75106161"
                           z3="6.31706"
                           zFract="0.28429613"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.34267"
                           xFract="0.75150118"
                           y3="4.20535"
                           yFract="0.49826422"
                           z3="4.25656"
                           zFract="0.19156436"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32484"
                           xFract="0.74938863"
                           y3="0.00011"
                           yFract="0.00001303"
                           z3="8.48351"
                           zFract="0.38179613"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.29776"
                           xFract="0.50921327"
                           y3="2.13719"
                           yFract="0.25322156"
                           z3="8.37821"
                           zFract="0.37705716"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0837"
                           xFract="0.00991706"
                           y3="2.09232"
                           yFract="0.24790521"
                           z3="6.21919"
                           zFract="0.27989154"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.98263"
                           xFract="0.23490877"
                           y3="-0.00267"
                           yFract="-0.00031635"
                           z3="6.39151"
                           zFract="0.28764671"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00336"
                           xFract="0.0003981"
                           y3="-0.06102"
                           yFract="-0.00722986"
                           z3="4.23696"
                           zFract="0.19068227"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07759"
                           xFract="0.00919313"
                           y3="0.04123"
                           yFract="0.00488507"
                           z3="8.4106"
                           zFract="0.37851485"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.17015"
                           xFract="0.25712678"
                           y3="2.07105"
                           yFract="0.24538507"
                           z3="4.19393"
                           zFract="0.18874572"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.24242"
                           xFract="0.26568957"
                           y3="1.9997"
                           yFract="0.23693128"
                           z3="8.68462"
                           zFract="0.39084698"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.09224"
                           xFract="0.48486256"
                           y3="2.17357"
                           yFract="0.25753199"
                           z3="6.31094"
                           zFract="0.2840207"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49871"
                           xFract="0.76998934"
                           y3="-0.01118"
                           yFract="-0.00132464"
                           z3="6.38298"
                           zFract="0.28726283"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21773"
                           xFract="0.49973104"
                           y3="-0.01066"
                           yFract="-0.00126303"
                           z3="4.27917"
                           zFract="0.19258191"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.17528"
                           xFract="0.49470142"
                           y3="-0.06557"
                           yFract="-0.00776896"
                           z3="8.46843"
                           zFract="0.38111746"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.27132"
                           xFract="0.74304739"
                           y3="2.09373"
                           yFract="0.24807227"
                           z3="4.23741"
                           zFract="0.19070252"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.23142"
                           xFract="0.73831991"
                           y3="2.0959"
                           yFract="0.24832938"
                           z3="8.58417"
                           zFract="0.38632628"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01713"
                           xFract="0.00202962"
                           y3="6.33495"
                           yFract="0.75058649"
                           z3="6.34498"
                           zFract="0.28555266"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10185"
                           xFract="0.24903436"
                           y3="4.20358"
                           yFract="0.4980545"
                           z3="6.27476"
                           zFract="0.28239244"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.05686"
                           xFract="-0.00673697"
                           y3="4.28505"
                           yFract="0.50770735"
                           z3="4.30368"
                           zFract="0.19368497"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05202"
                           xFract="0.00616351"
                           y3="4.21491"
                           yFract="0.49939692"
                           z3="8.44699"
                           zFract="0.38015257"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11685"
                           xFract="0.25081161"
                           y3="6.34368"
                           yFract="0.75162085"
                           z3="4.19443"
                           zFract="0.18876823"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07668"
                           xFract="0.24605213"
                           y3="6.39909"
                           yFract="0.75818602"
                           z3="8.47313"
                           zFract="0.38132898"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19775"
                           xFract="0.49736374"
                           y3="6.27522"
                           yFract="0.74350948"
                           z3="6.30551"
                           zFract="0.28377633"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32699"
                           xFract="0.74964336"
                           y3="4.23561"
                           yFract="0.50184953"
                           z3="6.44039"
                           zFract="0.28984653"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26043"
                           xFract="0.50479028"
                           y3="4.22814"
                           yFract="0.50096445"
                           z3="4.20163"
                           zFract="0.18909226"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.19532"
                           xFract="0.49707583"
                           y3="4.2631"
                           yFract="0.50510664"
                           z3="8.48694"
                           zFract="0.3819505"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.31783"
                           xFract="0.74855806"
                           y3="6.34596"
                           yFract="0.751891"
                           z3="4.19819"
                           zFract="0.18893744"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38167"
                           xFract="0.75612204"
                           y3="6.33416"
                           yFract="0.75049289"
                           z3="8.56889"
                           zFract="0.38563861"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a36" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.03079"
                           xFract="0.24061493"
                           y3="2.12353"
                           yFract="0.25160308"
                           z3="9.62971"
                           zFract="0.43338029"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33901"
                           xFract="0.75106754"
                           y3="4.22182"
                           yFract="0.50021564"
                           z3="8.49721"
                           zFract="0.38241269"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13462"
                           xFract="0.25291706"
                           y3="-0.08835"
                           yFract="-0.01046801"
                           z3="8.4880"
                           zFract="0.3819982"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01677"
                           xFract="0.00198697"
                           y3="0.00923"
                           yFract="0.0010936"
                           z3="6.36797"
                           zFract="0.28658731"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10508"
                           xFract="0.24941706"
                           y3="6.30789"
                           yFract="0.74738033"
                           z3="6.34246"
                           zFract="0.28543924"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07776"
                           xFract="0.24618009"
                           y3="2.11002"
                           yFract="0.25000237"
                           z3="6.27314"
                           zFract="0.28231953"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21034"
                           xFract="0.49885545"
                           y3="6.32898"
                           yFract="0.74987915"
                           z3="4.24295"
                           zFract="0.19095185"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22052"
                           xFract="0.50006161"
                           y3="2.10958"
                           yFract="0.24995024"
                           z3="4.20819"
                           zFract="0.18938749"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18655"
                           xFract="0.49603673"
                           y3="4.23063"
                           yFract="0.50125948"
                           z3="6.35542"
                           zFract="0.2860225"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.01246"
                           xFract="0.0014763"
                           y3="4.18289"
                           yFract="0.49560308"
                           z3="6.35736"
                           zFract="0.28610981"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00482"
                           xFract="0.00057109"
                           y3="6.32828"
                           yFract="0.74979621"
                           z3="4.26176"
                           zFract="0.19179838"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00668"
                           xFract="0.00079147"
                           y3="6.33705"
                           yFract="0.75083531"
                           z3="8.39631"
                           zFract="0.37787174"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21685"
                           xFract="0.49962678"
                           y3="0.00185"
                           yFract="0.00021919"
                           z3="6.3718"
                           zFract="0.28675968"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.02259"
                           xFract="0.00267654"
                           y3="2.13006"
                           yFract="0.25237678"
                           z3="4.18016"
                           zFract="0.18812601"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.14017"
                           xFract="-0.01660782"
                           y3="2.16483"
                           yFract="0.25649645"
                           z3="8.4381"
                           zFract="0.37975248"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08784"
                           xFract="0.24737441"
                           y3="4.19861"
                           yFract="0.49746564"
                           z3="4.20208"
                           zFract="0.18911251"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34165"
                           xFract="0.75138033"
                           y3="0.01179"
                           yFract="0.00139692"
                           z3="4.2213"
                           zFract="0.1899775"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11185"
                           xFract="0.25021919"
                           y3="4.34194"
                           yFract="0.51444787"
                           z3="8.53237"
                           zFract="0.38399505"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32834"
                           xFract="0.74980332"
                           y3="2.10243"
                           yFract="0.24910308"
                           z3="6.35009"
                           zFract="0.28578263"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10009"
                           xFract="0.24882583"
                           y3="-0.00813"
                           yFract="-0.00096327"
                           z3="4.22484"
                           zFract="0.19013681"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.24917"
                           xFract="0.50345616"
                           y3="6.31049"
                           yFract="0.74768839"
                           z3="8.44705"
                           zFract="0.38015527"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30813"
                           xFract="0.74740877"
                           y3="6.33929"
                           yFract="0.75110071"
                           z3="6.32133"
                           zFract="0.2844883"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.34172"
                           xFract="0.75138863"
                           y3="4.20327"
                           yFract="0.49801777"
                           z3="4.25773"
                           zFract="0.19161701"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32526"
                           xFract="0.74943839"
                           y3="0.00235"
                           yFract="0.00027844"
                           z3="8.4873"
                           zFract="0.3819667"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.29386"
                           xFract="0.50875118"
                           y3="2.13902"
                           yFract="0.25343839"
                           z3="8.38337"
                           zFract="0.37728938"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08203"
                           xFract="0.00971919"
                           y3="2.09329"
                           yFract="0.24802014"
                           z3="6.22024"
                           zFract="0.27993879"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.98111"
                           xFract="0.23472867"
                           y3="-0.00194"
                           yFract="-0.00022986"
                           z3="6.3922"
                           zFract="0.28767777"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00324"
                           xFract="0.00038389"
                           y3="-0.0609"
                           yFract="-0.00721564"
                           z3="4.23807"
                           zFract="0.19073222"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.08065"
                           xFract="0.00955569"
                           y3="0.04666"
                           yFract="0.00552844"
                           z3="8.41155"
                           zFract="0.37855761"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.17031"
                           xFract="0.25714573"
                           y3="2.07204"
                           yFract="0.24550237"
                           z3="4.19592"
                           zFract="0.18883528"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.24922"
                           xFract="0.26649526"
                           y3="1.99436"
                           yFract="0.23629858"
                           z3="8.69346"
                           zFract="0.39124482"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.09046"
                           xFract="0.48465166"
                           y3="2.17158"
                           yFract="0.25729621"
                           z3="6.31321"
                           zFract="0.28412286"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50155"
                           xFract="0.77032583"
                           y3="-0.00915"
                           yFract="-0.00108412"
                           z3="6.38536"
                           zFract="0.28736994"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21781"
                           xFract="0.49974052"
                           y3="-0.00987"
                           yFract="-0.00116943"
                           z3="4.28182"
                           zFract="0.19270117"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.17331"
                           xFract="0.49446801"
                           y3="-0.07022"
                           yFract="-0.00831991"
                           z3="8.46322"
                           zFract="0.38088299"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.27171"
                           xFract="0.7430936"
                           y3="2.09208"
                           yFract="0.24787678"
                           z3="4.23748"
                           zFract="0.19070567"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.23093"
                           xFract="0.73826185"
                           y3="2.09423"
                           yFract="0.24813152"
                           z3="8.58838"
                           zFract="0.38651575"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01632"
                           xFract="0.00193365"
                           y3="6.33307"
                           yFract="0.75036374"
                           z3="6.3461"
                           zFract="0.28560306"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10206"
                           xFract="0.24905924"
                           y3="4.20387"
                           yFract="0.49808886"
                           z3="6.27407"
                           zFract="0.28236139"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.05985"
                           xFract="-0.00709123"
                           y3="4.28535"
                           yFract="0.50774289"
                           z3="4.30389"
                           zFract="0.19369442"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05449"
                           xFract="0.00645616"
                           y3="4.21317"
                           yFract="0.49919076"
                           z3="8.4496"
                           zFract="0.38027003"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11624"
                           xFract="0.25073934"
                           y3="6.3418"
                           yFract="0.7513981"
                           z3="4.19582"
                           zFract="0.18883078"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07456"
                           xFract="0.24580095"
                           y3="6.4005"
                           yFract="0.75835308"
                           z3="8.47205"
                           zFract="0.38128038"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.19882"
                           xFract="0.49749052"
                           y3="6.27775"
                           yFract="0.74380924"
                           z3="6.30416"
                           zFract="0.28371557"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3253"
                           xFract="0.74944313"
                           y3="4.23308"
                           yFract="0.50154976"
                           z3="6.44466"
                           zFract="0.2900387"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2629"
                           xFract="0.50508294"
                           y3="4.22765"
                           yFract="0.5009064"
                           z3="4.20415"
                           zFract="0.18920567"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.19166"
                           xFract="0.49664218"
                           y3="4.26646"
                           yFract="0.50550474"
                           z3="8.48799"
                           zFract="0.38199775"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.31827"
                           xFract="0.74861019"
                           y3="6.34713"
                           yFract="0.75202962"
                           z3="4.19721"
                           zFract="0.18889334"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38548"
                           xFract="0.75657346"
                           y3="6.33455"
                           yFract="0.7505391"
                           z3="8.57096"
                           zFract="0.38573177"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a36" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.02257"
                           xFract="0.239641"
                           y3="2.12571"
                           yFract="0.25186137"
                           z3="9.65363"
                           zFract="0.4344568"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33894"
                           xFract="0.75105924"
                           y3="4.2181"
                           yFract="0.49977488"
                           z3="8.50405"
                           zFract="0.38272052"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13207"
                           xFract="0.25261493"
                           y3="-0.08687"
                           yFract="-0.01029265"
                           z3="8.49624"
                           zFract="0.38236904"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02422"
                           xFract="0.00286967"
                           y3="0.01336"
                           yFract="0.00158294"
                           z3="6.36963"
                           zFract="0.28666202"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10211"
                           xFract="0.24906517"
                           y3="6.31074"
                           yFract="0.74771801"
                           z3="6.35058"
                           zFract="0.28580468"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07753"
                           xFract="0.24615284"
                           y3="2.10799"
                           yFract="0.24976185"
                           z3="6.26383"
                           zFract="0.28190054"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2071"
                           xFract="0.49847156"
                           y3="6.33003"
                           yFract="0.75000355"
                           z3="4.24511"
                           zFract="0.19104905"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2228"
                           xFract="0.50033175"
                           y3="2.10873"
                           yFract="0.24984953"
                           z3="4.21478"
                           zFract="0.18968407"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18644"
                           xFract="0.4960237"
                           y3="4.22685"
                           yFract="0.50081161"
                           z3="6.35932"
                           zFract="0.28619802"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00978"
                           xFract="0.00115877"
                           y3="4.18527"
                           yFract="0.49588507"
                           z3="6.35944"
                           zFract="0.28620342"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00623"
                           xFract="0.00073815"
                           y3="6.32954"
                           yFract="0.7499455"
                           z3="4.26028"
                           zFract="0.19173177"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00923"
                           xFract="0.0010936"
                           y3="6.33977"
                           yFract="0.75115758"
                           z3="8.39943"
                           zFract="0.37801215"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21709"
                           xFract="0.49965521"
                           y3="-0.00004"
                           yFract="-0.00000474"
                           z3="6.37528"
                           zFract="0.28691629"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.02081"
                           xFract="0.00246564"
                           y3="2.13104"
                           yFract="0.25249289"
                           z3="4.18199"
                           zFract="0.18820837"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.14824"
                           xFract="-0.01756398"
                           y3="2.16767"
                           yFract="0.25683294"
                           z3="8.4287"
                           zFract="0.37932943"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08516"
                           xFract="0.24705687"
                           y3="4.19743"
                           yFract="0.49732583"
                           z3="4.20547"
                           zFract="0.18926508"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34189"
                           xFract="0.75140877"
                           y3="0.01775"
                           yFract="0.00210308"
                           z3="4.2303"
                           zFract="0.19038254"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11308"
                           xFract="0.25036493"
                           y3="4.3417"
                           yFract="0.51441943"
                           z3="8.54068"
                           zFract="0.38436904"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32716"
                           xFract="0.74966351"
                           y3="2.0985"
                           yFract="0.24863744"
                           z3="6.36123"
                           zFract="0.28628398"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10061"
                           xFract="0.24888744"
                           y3="-0.01194"
                           yFract="-0.00141469"
                           z3="4.2286"
                           zFract="0.19030603"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25087"
                           xFract="0.50365758"
                           y3="6.3070"
                           yFract="0.74727488"
                           z3="8.45427"
                           zFract="0.3804802"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31135"
                           xFract="0.74779028"
                           y3="6.34028"
                           yFract="0.75121801"
                           z3="6.33415"
                           zFract="0.28506526"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33888"
                           xFract="0.75105213"
                           y3="4.19703"
                           yFract="0.49727844"
                           z3="4.26124"
                           zFract="0.19177498"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32654"
                           xFract="0.74959005"
                           y3="0.00907"
                           yFract="0.00107464"
                           z3="8.49866"
                           zFract="0.38247795"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.28216"
                           xFract="0.50736493"
                           y3="2.14451"
                           yFract="0.25408886"
                           z3="8.39884"
                           zFract="0.3779856"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.07702"
                           xFract="0.00912559"
                           y3="2.09621"
                           yFract="0.24836611"
                           z3="6.2234"
                           zFract="0.28008101"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97654"
                           xFract="0.2341872"
                           y3="0.00025"
                           yFract="0.00002962"
                           z3="6.3943"
                           zFract="0.28777228"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00286"
                           xFract="0.00033886"
                           y3="-0.06052"
                           yFract="-0.00717062"
                           z3="4.24142"
                           zFract="0.19088299"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.08984"
                           xFract="0.01064455"
                           y3="0.06295"
                           yFract="0.00745853"
                           z3="8.4144"
                           zFract="0.37868587"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.17081"
                           xFract="0.25720498"
                           y3="2.07503"
                           yFract="0.24585664"
                           z3="4.20188"
                           zFract="0.18910351"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.26961"
                           xFract="0.26891114"
                           y3="1.97833"
                           yFract="0.23439929"
                           z3="8.71998"
                           zFract="0.39243834"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.08513"
                           xFract="0.48402014"
                           y3="2.16563"
                           yFract="0.25659123"
                           z3="6.32002"
                           zFract="0.28442934"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.51007"
                           xFract="0.77133531"
                           y3="-0.00305"
                           yFract="-0.00036137"
                           z3="6.39253"
                           zFract="0.28769262"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21805"
                           xFract="0.49976896"
                           y3="-0.00751"
                           yFract="-0.00088981"
                           z3="4.28977"
                           zFract="0.19305896"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.16741"
                           xFract="0.49376896"
                           y3="-0.08418"
                           yFract="-0.00997393"
                           z3="8.44756"
                           zFract="0.38017822"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.27287"
                           xFract="0.74323104"
                           y3="2.08711"
                           yFract="0.24728791"
                           z3="4.23771"
                           zFract="0.19071602"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.22948"
                           xFract="0.73809005"
                           y3="2.08922"
                           yFract="0.24753791"
                           z3="8.60103"
                           zFract="0.38708506"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01389"
                           xFract="0.00164573"
                           y3="6.32743"
                           yFract="0.7496955"
                           z3="6.34943"
                           zFract="0.28575293"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10268"
                           xFract="0.2491327"
                           y3="4.20476"
                           yFract="0.49819431"
                           z3="6.27199"
                           zFract="0.28226778"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.06881"
                           xFract="-0.00815284"
                           y3="4.28627"
                           yFract="0.5078519"
                           z3="4.3045"
                           zFract="0.19372187"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.06189"
                           xFract="0.00733294"
                           y3="4.20795"
                           yFract="0.49857227"
                           z3="8.45744"
                           zFract="0.38062286"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1144"
                           xFract="0.25052133"
                           y3="6.33615"
                           yFract="0.75072867"
                           z3="4.20001"
                           zFract="0.18901935"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0682"
                           xFract="0.24504739"
                           y3="6.40473"
                           yFract="0.75885427"
                           z3="8.46879"
                           zFract="0.38113366"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20203"
                           xFract="0.49787085"
                           y3="6.28532"
                           yFract="0.74470616"
                           z3="6.3001"
                           zFract="0.28353285"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32023"
                           xFract="0.74884242"
                           y3="4.22547"
                           yFract="0.5006481"
                           z3="6.45745"
                           zFract="0.29061431"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.27031"
                           xFract="0.5059609"
                           y3="4.22621"
                           yFract="0.50073578"
                           z3="4.2117"
                           zFract="0.18954545"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.18068"
                           xFract="0.49534123"
                           y3="4.27653"
                           yFract="0.50669787"
                           z3="8.49111"
                           zFract="0.38213816"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.31957"
                           xFract="0.74876422"
                           y3="6.35062"
                           yFract="0.75244313"
                           z3="4.19427"
                           zFract="0.18876103"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39693"
                           xFract="0.75793009"
                           y3="6.33571"
                           yFract="0.75067654"
                           z3="8.57715"
                           zFract="0.38601035"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a78" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.01898"
                           xFract="0.23921564"
                           y3="2.12666"
                           yFract="0.25197393"
                           z3="9.6641"
                           zFract="0.43492799"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33891"
                           xFract="0.75105569"
                           y3="4.21647"
                           yFract="0.49958175"
                           z3="8.50705"
                           zFract="0.38285554"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13095"
                           xFract="0.25248223"
                           y3="-0.08622"
                           yFract="-0.01021564"
                           z3="8.49985"
                           zFract="0.3825315"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02748"
                           xFract="0.00325592"
                           y3="0.01517"
                           yFract="0.00179739"
                           z3="6.37036"
                           zFract="0.28669487"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10082"
                           xFract="0.24891232"
                           y3="6.31199"
                           yFract="0.74786611"
                           z3="6.35414"
                           zFract="0.2859649"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07743"
                           xFract="0.246141"
                           y3="2.1071"
                           yFract="0.2496564"
                           z3="6.25976"
                           zFract="0.28171737"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.20568"
                           xFract="0.49830332"
                           y3="6.33049"
                           yFract="0.75005806"
                           z3="4.24606"
                           zFract="0.19109181"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2238"
                           xFract="0.50045024"
                           y3="2.10836"
                           yFract="0.24980569"
                           z3="4.21767"
                           zFract="0.18981413"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18639"
                           xFract="0.49601777"
                           y3="4.22519"
                           yFract="0.50061493"
                           z3="6.36102"
                           zFract="0.28627453"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0086"
                           xFract="0.00101896"
                           y3="4.18631"
                           yFract="0.49600829"
                           z3="6.36036"
                           zFract="0.28624482"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00684"
                           xFract="0.00081043"
                           y3="6.33009"
                           yFract="0.75001066"
                           z3="4.25964"
                           zFract="0.19170297"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.01034"
                           xFract="0.00122512"
                           y3="6.34097"
                           yFract="0.75129976"
                           z3="8.4008"
                           zFract="0.37807381"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21719"
                           xFract="0.49966706"
                           y3="-0.00086"
                           yFract="-0.0001019"
                           z3="6.3768"
                           zFract="0.2869847"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.02002"
                           xFract="0.00237204"
                           y3="2.13147"
                           yFract="0.25254384"
                           z3="4.1828"
                           zFract="0.18824482"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.15177"
                           xFract="-0.01798223"
                           y3="2.16891"
                           yFract="0.25697986"
                           z3="8.42458"
                           zFract="0.37914401"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08398"
                           xFract="0.24691706"
                           y3="4.19691"
                           yFract="0.49726422"
                           z3="4.20696"
                           zFract="0.18933213"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34199"
                           xFract="0.75142062"
                           y3="0.02035"
                           yFract="0.00241114"
                           z3="4.23425"
                           zFract="0.19056031"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11362"
                           xFract="0.25042891"
                           y3="4.34159"
                           yFract="0.5144064"
                           z3="8.54432"
                           zFract="0.38453285"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32665"
                           xFract="0.74960308"
                           y3="2.09678"
                           yFract="0.24843365"
                           z3="6.36611"
                           zFract="0.2865036"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10084"
                           xFract="0.24891469"
                           y3="-0.0136"
                           yFract="-0.00161137"
                           z3="4.23025"
                           zFract="0.19038029"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25162"
                           xFract="0.50374645"
                           y3="6.30547"
                           yFract="0.7470936"
                           z3="8.45743"
                           zFract="0.38062241"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31276"
                           xFract="0.74795735"
                           y3="6.34072"
                           yFract="0.75127014"
                           z3="6.33976"
                           zFract="0.28531773"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33764"
                           xFract="0.75090521"
                           y3="4.19429"
                           yFract="0.49695379"
                           z3="4.26277"
                           zFract="0.19184383"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3271"
                           xFract="0.7496564"
                           y3="0.01202"
                           yFract="0.00142417"
                           z3="8.50364"
                           zFract="0.38270207"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.27703"
                           xFract="0.50675711"
                           y3="2.14691"
                           yFract="0.25437322"
                           z3="8.40561"
                           zFract="0.37829028"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.07483"
                           xFract="0.00886611"
                           y3="2.09748"
                           yFract="0.24851659"
                           z3="6.22478"
                           zFract="0.28014311"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97454"
                           xFract="0.23395024"
                           y3="0.00121"
                           yFract="0.00014336"
                           z3="6.39522"
                           zFract="0.28781368"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00269"
                           xFract="0.00031872"
                           y3="-0.06035"
                           yFract="-0.00715047"
                           z3="4.24288"
                           zFract="0.19094869"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.09386"
                           xFract="0.01112085"
                           y3="0.07008"
                           yFract="0.00830332"
                           z3="8.41564"
                           zFract="0.37874167"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.17102"
                           xFract="0.25722986"
                           y3="2.07634"
                           yFract="0.24601185"
                           z3="4.20449"
                           zFract="0.18922097"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.27853"
                           xFract="0.26996801"
                           y3="1.97132"
                           yFract="0.23356872"
                           z3="8.73159"
                           zFract="0.39296085"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.0828"
                           xFract="0.48374408"
                           y3="2.16302"
                           yFract="0.25628199"
                           z3="6.3230"
                           zFract="0.28456346"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.5138"
                           xFract="0.77177725"
                           y3="-0.00038"
                           yFract="-0.00004502"
                           z3="6.39566"
                           zFract="0.28783348"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21815"
                           xFract="0.49978081"
                           y3="-0.00647"
                           yFract="-0.00076659"
                           z3="4.29325"
                           zFract="0.19321557"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.16482"
                           xFract="0.49346209"
                           y3="-0.09029"
                           yFract="-0.01069787"
                           z3="8.44071"
                           zFract="0.37986994"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.27338"
                           xFract="0.74329147"
                           y3="2.08494"
                           yFract="0.24703081"
                           z3="4.2378"
                           zFract="0.19072007"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.22884"
                           xFract="0.73801422"
                           y3="2.08702"
                           yFract="0.24727725"
                           z3="8.60657"
                           zFract="0.38733438"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01283"
                           xFract="0.00152014"
                           y3="6.32496"
                           yFract="0.74940284"
                           z3="6.3509"
                           zFract="0.28581908"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10295"
                           xFract="0.24916469"
                           y3="4.20515"
                           yFract="0.49824052"
                           z3="6.27108"
                           zFract="0.28222682"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.07274"
                           xFract="-0.00861848"
                           y3="4.28667"
                           yFract="0.50789929"
                           z3="4.30477"
                           zFract="0.19373402"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.06514"
                           xFract="0.00771801"
                           y3="4.20567"
                           yFract="0.49830213"
                           z3="8.46087"
                           zFract="0.38077723"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11359"
                           xFract="0.25042536"
                           y3="6.33367"
                           yFract="0.75043483"
                           z3="4.20184"
                           zFract="0.18910171"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06542"
                           xFract="0.24471801"
                           y3="6.40658"
                           yFract="0.75907346"
                           z3="8.46736"
                           zFract="0.38106931"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20344"
                           xFract="0.49803791"
                           y3="6.28864"
                           yFract="0.74509953"
                           z3="6.29832"
                           zFract="0.28345275"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31801"
                           xFract="0.74857938"
                           y3="4.22214"
                           yFract="0.50025355"
                           z3="6.46305"
                           zFract="0.29086634"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.27355"
                           xFract="0.50634479"
                           y3="4.22557"
                           yFract="0.50065995"
                           z3="4.21501"
                           zFract="0.18969442"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.17587"
                           xFract="0.49477133"
                           y3="4.28094"
                           yFract="0.50722038"
                           z3="8.49248"
                           zFract="0.38219982"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32014"
                           xFract="0.74883175"
                           y3="6.35215"
                           yFract="0.75262441"
                           z3="4.19298"
                           zFract="0.18870297"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40194"
                           xFract="0.7585237"
                           y3="6.33622"
                           yFract="0.75073697"
                           z3="8.57986"
                           zFract="0.38613231"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.01786"
                           xFract="0.23908294"
                           y3="2.12596"
                           yFract="0.251891"
                           z3="9.66819"
                           zFract="0.43511206"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34125"
                           xFract="0.75133294"
                           y3="4.21649"
                           yFract="0.49958412"
                           z3="8.50821"
                           zFract="0.38290774"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1297"
                           xFract="0.25233412"
                           y3="-0.08275"
                           yFract="-0.0098045"
                           z3="8.50213"
                           zFract="0.38263411"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02775"
                           xFract="0.00328791"
                           y3="0.01752"
                           yFract="0.00207583"
                           z3="6.3718"
                           zFract="0.28675968"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10145"
                           xFract="0.24898697"
                           y3="6.31127"
                           yFract="0.74778081"
                           z3="6.3541"
                           zFract="0.2859631"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07679"
                           xFract="0.24606517"
                           y3="2.10713"
                           yFract="0.24965995"
                           z3="6.25752"
                           zFract="0.28161656"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.20681"
                           xFract="0.4984372"
                           y3="6.32993"
                           yFract="0.74999171"
                           z3="4.24706"
                           zFract="0.19113681"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2249"
                           xFract="0.50058057"
                           y3="2.1082"
                           yFract="0.24978673"
                           z3="4.22092"
                           zFract="0.1899604"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18609"
                           xFract="0.49598223"
                           y3="4.22361"
                           yFract="0.50042773"
                           z3="6.36246"
                           zFract="0.28633933"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00849"
                           xFract="0.00100592"
                           y3="4.18741"
                           yFract="0.49613863"
                           z3="6.36115"
                           zFract="0.28628038"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00548"
                           xFract="0.00064929"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.25961"
                           zFract="0.19170162"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00896"
                           xFract="0.00106161"
                           y3="6.34029"
                           yFract="0.75121919"
                           z3="8.40078"
                           zFract="0.37807291"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21761"
                           xFract="0.49971682"
                           y3="-0.00071"
                           yFract="-0.00008412"
                           z3="6.37563"
                           zFract="0.28693204"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.01802"
                           xFract="0.00213507"
                           y3="2.13129"
                           yFract="0.25252251"
                           z3="4.18733"
                           zFract="0.18844869"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.15227"
                           xFract="-0.01804147"
                           y3="2.16982"
                           yFract="0.25708768"
                           z3="8.42111"
                           zFract="0.37898785"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08371"
                           xFract="0.24688507"
                           y3="4.19656"
                           yFract="0.49722275"
                           z3="4.20906"
                           zFract="0.18942664"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34245"
                           xFract="0.75147512"
                           y3="0.02031"
                           yFract="0.0024064"
                           z3="4.23551"
                           zFract="0.19061701"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11084"
                           xFract="0.25009953"
                           y3="4.34159"
                           yFract="0.5144064"
                           z3="8.54581"
                           zFract="0.38459991"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32475"
                           xFract="0.74937796"
                           y3="2.09575"
                           yFract="0.24831161"
                           z3="6.37037"
                           zFract="0.28669532"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.10032"
                           xFract="0.24885308"
                           y3="-0.01356"
                           yFract="-0.00160664"
                           z3="4.23064"
                           zFract="0.19039784"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25424"
                           xFract="0.50405687"
                           y3="6.30405"
                           yFract="0.74692536"
                           z3="8.45911"
                           zFract="0.38069802"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31498"
                           xFract="0.74822038"
                           y3="6.34116"
                           yFract="0.75132227"
                           z3="6.3458"
                           zFract="0.28558956"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33645"
                           xFract="0.75076422"
                           y3="4.1931"
                           yFract="0.4968128"
                           z3="4.26342"
                           zFract="0.19187309"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32844"
                           xFract="0.74981517"
                           y3="0.01233"
                           yFract="0.0014609"
                           z3="8.50615"
                           zFract="0.38281503"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.27655"
                           xFract="0.50670024"
                           y3="2.14949"
                           yFract="0.25467891"
                           z3="8.41229"
                           zFract="0.37859091"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.07526"
                           xFract="0.00891706"
                           y3="2.09997"
                           yFract="0.24881161"
                           z3="6.22763"
                           zFract="0.28027138"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97403"
                           xFract="0.23388981"
                           y3="0.00223"
                           yFract="0.00026422"
                           z3="6.39516"
                           zFract="0.28781098"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00486"
                           xFract="0.00057583"
                           y3="-0.06122"
                           yFract="-0.00725355"
                           z3="4.24458"
                           zFract="0.1910252"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.09779"
                           xFract="0.01158649"
                           y3="0.07458"
                           yFract="0.00883649"
                           z3="8.41827"
                           zFract="0.37886004"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.17302"
                           xFract="0.25746682"
                           y3="2.0781"
                           yFract="0.24622038"
                           z3="4.20634"
                           zFract="0.18930423"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.28414"
                           xFract="0.2706327"
                           y3="1.96449"
                           yFract="0.23275948"
                           z3="8.74718"
                           zFract="0.39366247"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.08272"
                           xFract="0.4837346"
                           y3="2.16028"
                           yFract="0.25595735"
                           z3="6.32923"
                           zFract="0.28484383"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.5147"
                           xFract="0.77188389"
                           y3="0.00163"
                           yFract="0.00019313"
                           z3="6.39995"
                           zFract="0.28802655"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21562"
                           xFract="0.49948104"
                           y3="-0.0055"
                           yFract="-0.00065166"
                           z3="4.29298"
                           zFract="0.19320342"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.16088"
                           xFract="0.49299526"
                           y3="-0.09481"
                           yFract="-0.01123341"
                           z3="8.43756"
                           zFract="0.37972817"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.27206"
                           xFract="0.74313507"
                           y3="2.08321"
                           yFract="0.24682583"
                           z3="4.23749"
                           zFract="0.19070612"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.22435"
                           xFract="0.73748223"
                           y3="2.0867"
                           yFract="0.24723934"
                           z3="8.61415"
                           zFract="0.38767552"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01324"
                           xFract="0.00156872"
                           y3="6.32313"
                           yFract="0.74918602"
                           z3="6.35362"
                           zFract="0.28594149"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10184"
                           xFract="0.24903318"
                           y3="4.20699"
                           yFract="0.49845853"
                           z3="6.27088"
                           zFract="0.28221782"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.07679"
                           xFract="-0.00909834"
                           y3="4.28834"
                           yFract="0.50809716"
                           z3="4.30592"
                           zFract="0.19378578"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.06637"
                           xFract="0.00786374"
                           y3="4.20511"
                           yFract="0.49823578"
                           z3="8.46435"
                           zFract="0.38093384"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11244"
                           xFract="0.2502891"
                           y3="6.33146"
                           yFract="0.75017299"
                           z3="4.20338"
                           zFract="0.18917102"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.06242"
                           xFract="0.24436256"
                           y3="6.40703"
                           yFract="0.75912678"
                           z3="8.46774"
                           zFract="0.38108641"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20445"
                           xFract="0.49815758"
                           y3="6.28918"
                           yFract="0.74516351"
                           z3="6.29936"
                           zFract="0.28349955"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31647"
                           xFract="0.74839692"
                           y3="4.21966"
                           yFract="0.49995972"
                           z3="6.46723"
                           zFract="0.29105446"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.27667"
                           xFract="0.50671445"
                           y3="4.22475"
                           yFract="0.5005628"
                           z3="4.21825"
                           zFract="0.18984023"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.17217"
                           xFract="0.49433294"
                           y3="4.28398"
                           yFract="0.50758057"
                           z3="8.49472"
                           zFract="0.38230063"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32074"
                           xFract="0.74890284"
                           y3="6.35401"
                           yFract="0.75284479"
                           z3="4.19335"
                           zFract="0.18871962"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4047"
                           xFract="0.75885071"
                           y3="6.33675"
                           yFract="0.75079976"
                           z3="8.58184"
                           zFract="0.38622142"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.01667"
                           xFract="0.23894194"
                           y3="2.12521"
                           yFract="0.25180213"
                           z3="9.67255"
                           zFract="0.43530828"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34375"
                           xFract="0.75162915"
                           y3="4.21651"
                           yFract="0.49958649"
                           z3="8.50945"
                           zFract="0.38296355"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12837"
                           xFract="0.25217654"
                           y3="-0.07904"
                           yFract="-0.00936493"
                           z3="8.50457"
                           zFract="0.38274392"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02804"
                           xFract="0.00332227"
                           y3="0.02003"
                           yFract="0.00237322"
                           z3="6.37334"
                           zFract="0.28682898"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10213"
                           xFract="0.24906754"
                           y3="6.31049"
                           yFract="0.74768839"
                           z3="6.35406"
                           zFract="0.2859613"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.0761"
                           xFract="0.24598341"
                           y3="2.10717"
                           yFract="0.24966469"
                           z3="6.25512"
                           zFract="0.28150855"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.20802"
                           xFract="0.49858057"
                           y3="6.32933"
                           yFract="0.74992062"
                           z3="4.24812"
                           zFract="0.19118452"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22608"
                           xFract="0.50072038"
                           y3="2.10802"
                           yFract="0.2497654"
                           z3="4.2244"
                           zFract="0.19011701"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18577"
                           xFract="0.49594431"
                           y3="4.22192"
                           yFract="0.50022749"
                           z3="6.36398"
                           zFract="0.28640774"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00836"
                           xFract="0.00099052"
                           y3="4.1886"
                           yFract="0.49627962"
                           z3="6.36199"
                           zFract="0.28631818"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00402"
                           xFract="0.0004763"
                           y3="6.32989"
                           yFract="0.74998697"
                           z3="4.25959"
                           zFract="0.19170072"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00749"
                           xFract="0.00088744"
                           y3="6.33957"
                           yFract="0.75113389"
                           z3="8.40075"
                           zFract="0.37807156"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21805"
                           xFract="0.49976896"
                           y3="-0.00055"
                           yFract="-0.00006517"
                           z3="6.37437"
                           zFract="0.28687534"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.01589"
                           xFract="0.0018827"
                           y3="2.1311"
                           yFract="0.2525"
                           z3="4.19218"
                           zFract="0.18866697"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.1528"
                           xFract="-0.01810427"
                           y3="2.17079"
                           yFract="0.25720261"
                           z3="8.4174"
                           zFract="0.37882088"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08341"
                           xFract="0.24684953"
                           y3="4.19619"
                           yFract="0.49717891"
                           z3="4.21131"
                           zFract="0.1895279"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34294"
                           xFract="0.75153318"
                           y3="0.02025"
                           yFract="0.00239929"
                           z3="4.23686"
                           zFract="0.19067777"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10788"
                           xFract="0.24974882"
                           y3="4.34159"
                           yFract="0.5144064"
                           z3="8.54739"
                           zFract="0.38467102"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32273"
                           xFract="0.74913863"
                           y3="2.09465"
                           yFract="0.24818128"
                           z3="6.37491"
                           zFract="0.28689964"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09977"
                           xFract="0.24878791"
                           y3="-0.0135"
                           yFract="-0.00159953"
                           z3="4.23106"
                           zFract="0.19041674"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25703"
                           xFract="0.50438744"
                           y3="6.30254"
                           yFract="0.74674645"
                           z3="8.46091"
                           zFract="0.38077903"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31734"
                           xFract="0.7485"
                           y3="6.34163"
                           yFract="0.75137796"
                           z3="6.35225"
                           zFract="0.28587984"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33517"
                           xFract="0.75061256"
                           y3="4.19181"
                           yFract="0.49665995"
                           z3="4.26411"
                           zFract="0.19190414"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32988"
                           xFract="0.74998578"
                           y3="0.01266"
                           yFract="0.0015"
                           z3="8.50884"
                           zFract="0.38293609"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.27603"
                           xFract="0.50663863"
                           y3="2.15225"
                           yFract="0.25500592"
                           z3="8.41941"
                           zFract="0.37891134"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.07573"
                           xFract="0.00897275"
                           y3="2.10262"
                           yFract="0.24912559"
                           z3="6.23069"
                           zFract="0.28040909"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97348"
                           xFract="0.23382464"
                           y3="0.00331"
                           yFract="0.00039218"
                           z3="6.39508"
                           zFract="0.28780738"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00718"
                           xFract="0.00085071"
                           y3="-0.06213"
                           yFract="-0.00736137"
                           z3="4.2464"
                           zFract="0.19110711"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10198"
                           xFract="0.01208294"
                           y3="0.07938"
                           yFract="0.00940521"
                           z3="8.42108"
                           zFract="0.3789865"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.17514"
                           xFract="0.25771801"
                           y3="2.07998"
                           yFract="0.24644313"
                           z3="4.2083"
                           zFract="0.18939244"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29014"
                           xFract="0.2713436"
                           y3="1.95719"
                           yFract="0.23189455"
                           z3="8.76384"
                           zFract="0.39441224"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.08264"
                           xFract="0.48372512"
                           y3="2.15735"
                           yFract="0.25561019"
                           z3="6.33589"
                           zFract="0.28514356"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.51565"
                           xFract="0.77199645"
                           y3="0.00377"
                           yFract="0.00044668"
                           z3="6.40453"
                           zFract="0.28823267"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21292"
                           xFract="0.49916114"
                           y3="-0.00446"
                           yFract="-0.00052844"
                           z3="4.2927"
                           zFract="0.19319082"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.15666"
                           xFract="0.49249526"
                           y3="-0.09965"
                           yFract="-0.01180687"
                           z3="8.43419"
                           zFract="0.37957651"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.27065"
                           xFract="0.74296801"
                           y3="2.08136"
                           yFract="0.24660664"
                           z3="4.23715"
                           zFract="0.19069082"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.21954"
                           xFract="0.73691232"
                           y3="2.08635"
                           yFract="0.24719787"
                           z3="8.62225"
                           zFract="0.38804005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01368"
                           xFract="0.00162085"
                           y3="6.32118"
                           yFract="0.74895498"
                           z3="6.35652"
                           zFract="0.28607201"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10065"
                           xFract="0.24889218"
                           y3="4.20896"
                           yFract="0.49869194"
                           z3="6.27067"
                           zFract="0.28220837"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.08112"
                           xFract="-0.00961137"
                           y3="4.29012"
                           yFract="0.50830806"
                           z3="4.30715"
                           zFract="0.19384113"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0677"
                           xFract="0.00802133"
                           y3="4.20451"
                           yFract="0.49816469"
                           z3="8.46806"
                           zFract="0.38110081"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11121"
                           xFract="0.25014336"
                           y3="6.32909"
                           yFract="0.74989218"
                           z3="4.20502"
                           zFract="0.18924482"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05921"
                           xFract="0.24398223"
                           y3="6.4075"
                           yFract="0.75918246"
                           z3="8.46815"
                           zFract="0.38110486"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20553"
                           xFract="0.49828555"
                           y3="6.28976"
                           yFract="0.74523223"
                           z3="6.30048"
                           zFract="0.28354995"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31483"
                           xFract="0.74820261"
                           y3="4.2170"
                           yFract="0.49964455"
                           z3="6.4717"
                           zFract="0.29125563"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2800"
                           xFract="0.507109"
                           y3="4.22387"
                           yFract="0.50045853"
                           z3="4.22171"
                           zFract="0.18999595"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.16823"
                           xFract="0.49386611"
                           y3="4.28722"
                           yFract="0.50796445"
                           z3="8.49711"
                           zFract="0.38240819"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32138"
                           xFract="0.74897867"
                           y3="6.3560"
                           yFract="0.75308057"
                           z3="4.19375"
                           zFract="0.18873762"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40766"
                           xFract="0.75920142"
                           y3="6.33732"
                           yFract="0.7508673"
                           z3="8.58397"
                           zFract="0.38631728"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.01533"
                           xFract="0.23878318"
                           y3="2.1253"
                           yFract="0.2518128"
                           z3="9.67792"
                           zFract="0.43554995"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34509"
                           xFract="0.75178791"
                           y3="4.2166"
                           yFract="0.49959716"
                           z3="8.50998"
                           zFract="0.3829874"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12795"
                           xFract="0.25212678"
                           y3="-0.07764"
                           yFract="-0.00919905"
                           z3="8.5056"
                           zFract="0.38279028"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02787"
                           xFract="0.00330213"
                           y3="0.02105"
                           yFract="0.00249408"
                           z3="6.37421"
                           zFract="0.28686814"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10266"
                           xFract="0.24913033"
                           y3="6.31007"
                           yFract="0.74763863"
                           z3="6.35376"
                           zFract="0.28594779"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07586"
                           xFract="0.24595498"
                           y3="2.10732"
                           yFract="0.24968246"
                           z3="6.25447"
                           zFract="0.2814793"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2089"
                           xFract="0.49868483"
                           y3="6.32894"
                           yFract="0.74987441"
                           z3="4.24866"
                           zFract="0.19120882"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22657"
                           xFract="0.50077844"
                           y3="2.10795"
                           yFract="0.24975711"
                           z3="4.22588"
                           zFract="0.19018362"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18559"
                           xFract="0.49592299"
                           y3="4.22132"
                           yFract="0.5001564"
                           z3="6.36478"
                           zFract="0.28644374"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00838"
                           xFract="0.00099289"
                           y3="4.18915"
                           yFract="0.49634479"
                           z3="6.36238"
                           zFract="0.28633573"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00308"
                           xFract="0.00036493"
                           y3="6.32976"
                           yFract="0.74997156"
                           z3="4.25979"
                           zFract="0.19170972"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00685"
                           xFract="0.00081161"
                           y3="6.33911"
                           yFract="0.75107938"
                           z3="8.40074"
                           zFract="0.37807111"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21821"
                           xFract="0.49978791"
                           y3="-0.00046"
                           yFract="-0.0000545"
                           z3="6.37358"
                           zFract="0.28683978"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.01478"
                           xFract="0.00175118"
                           y3="2.13099"
                           yFract="0.25248697"
                           z3="4.19463"
                           zFract="0.18877723"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.15259"
                           xFract="-0.01807938"
                           y3="2.17121"
                           yFract="0.25725237"
                           z3="8.41591"
                           zFract="0.37875383"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08335"
                           xFract="0.24684242"
                           y3="4.19607"
                           yFract="0.49716469"
                           z3="4.21218"
                           zFract="0.18956706"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34318"
                           xFract="0.75156161"
                           y3="0.01983"
                           yFract="0.00234953"
                           z3="4.23708"
                           zFract="0.19068767"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10619"
                           xFract="0.24954858"
                           y3="4.34165"
                           yFract="0.51441351"
                           z3="8.54791"
                           zFract="0.38469442"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32163"
                           xFract="0.74900829"
                           y3="2.09432"
                           yFract="0.24814218"
                           z3="6.37688"
                           zFract="0.2869883"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09943"
                           xFract="0.24874763"
                           y3="-0.01329"
                           yFract="-0.00157464"
                           z3="4.23106"
                           zFract="0.19041674"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25828"
                           xFract="0.50453555"
                           y3="6.3020"
                           yFract="0.74668246"
                           z3="8.46154"
                           zFract="0.38080738"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31839"
                           xFract="0.74862441"
                           y3="6.34179"
                           yFract="0.75139692"
                           z3="6.35496"
                           zFract="0.2860018"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33468"
                           xFract="0.7505545"
                           y3="4.19153"
                           yFract="0.49662678"
                           z3="4.26436"
                           zFract="0.19191539"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3305"
                           xFract="0.75005924"
                           y3="0.01264"
                           yFract="0.00149763"
                           z3="8.50979"
                           zFract="0.38297885"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.27623"
                           xFract="0.50666232"
                           y3="2.15354"
                           yFract="0.25515877"
                           z3="8.42278"
                           zFract="0.37906301"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.07629"
                           xFract="0.0090391"
                           y3="2.10397"
                           yFract="0.24928555"
                           z3="6.23239"
                           zFract="0.2804856"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97341"
                           xFract="0.23381635"
                           y3="0.00379"
                           yFract="0.00044905"
                           z3="6.39491"
                           zFract="0.28779973"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00856"
                           xFract="0.00101422"
                           y3="-0.06258"
                           yFract="-0.00741469"
                           z3="4.24732"
                           zFract="0.19114851"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10369"
                           xFract="0.01228555"
                           y3="0.08116"
                           yFract="0.00961611"
                           z3="8.42241"
                           zFract="0.37904635"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.17622"
                           xFract="0.25784597"
                           y3="2.08103"
                           yFract="0.24656754"
                           z3="4.20894"
                           zFract="0.18942124"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29358"
                           xFract="0.27175118"
                           y3="1.95333"
                           yFract="0.2314372"
                           z3="8.76778"
                           zFract="0.39458956"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.08274"
                           xFract="0.48373697"
                           y3="2.15614"
                           yFract="0.25546682"
                           z3="6.33925"
                           zFract="0.28529478"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.51568"
                           xFract="0.7720"
                           y3="0.00463"
                           yFract="0.00054858"
                           z3="6.40678"
                           zFract="0.28833393"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21134"
                           xFract="0.49897393"
                           y3="-0.00413"
                           yFract="-0.00048934"
                           z3="4.29215"
                           zFract="0.19316607"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.15465"
                           xFract="0.49225711"
                           y3="-0.10162"
                           yFract="-0.01204028"
                           z3="8.43318"
                           zFract="0.37953105"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26985"
                           xFract="0.74287322"
                           y3="2.08044"
                           yFract="0.24649763"
                           z3="4.23702"
                           zFract="0.19068497"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.21709"
                           xFract="0.73662204"
                           y3="2.08634"
                           yFract="0.24719668"
                           z3="8.62643"
                           zFract="0.38822817"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0139"
                           xFract="0.00164692"
                           y3="6.32053"
                           yFract="0.74887796"
                           z3="6.35783"
                           zFract="0.28613096"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10007"
                           xFract="0.24882346"
                           y3="4.20979"
                           yFract="0.49879028"
                           z3="6.27074"
                           zFract="0.28221152"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.08311"
                           xFract="-0.00984716"
                           y3="4.29089"
                           yFract="0.50839929"
                           z3="4.30785"
                           zFract="0.19387264"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0679"
                           xFract="0.00804502"
                           y3="4.2044"
                           yFract="0.49815166"
                           z3="8.46962"
                           zFract="0.38117102"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11076"
                           xFract="0.25009005"
                           y3="6.32802"
                           yFract="0.7497654"
                           z3="4.20558"
                           zFract="0.18927003"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05773"
                           xFract="0.24380687"
                           y3="6.40791"
                           yFract="0.75923104"
                           z3="8.4685"
                           zFract="0.38112061"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20607"
                           xFract="0.49834953"
                           y3="6.28964"
                           yFract="0.74521801"
                           z3="6.30129"
                           zFract="0.28358641"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31427"
                           xFract="0.74813626"
                           y3="4.21598"
                           yFract="0.4995237"
                           z3="6.47349"
                           zFract="0.29133618"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.28146"
                           xFract="0.50728199"
                           y3="4.22344"
                           yFract="0.50040758"
                           z3="4.22325"
                           zFract="0.19006526"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.16657"
                           xFract="0.49366943"
                           y3="4.28841"
                           yFract="0.50810545"
                           z3="8.49828"
                           zFract="0.38246085"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32161"
                           xFract="0.74900592"
                           y3="6.35709"
                           yFract="0.75320972"
                           z3="4.19432"
                           zFract="0.18876328"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40868"
                           xFract="0.75932227"
                           y3="6.33768"
                           yFract="0.75090995"
                           z3="8.58489"
                           zFract="0.38635869"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a58" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.01131"
                           xFract="0.23830687"
                           y3="2.12557"
                           yFract="0.25184479"
                           z3="9.69402"
                           zFract="0.43627453"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34911"
                           xFract="0.75226422"
                           y3="4.21685"
                           yFract="0.49962678"
                           z3="8.51157"
                           zFract="0.38305896"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12668"
                           xFract="0.2519763"
                           y3="-0.07346"
                           yFract="-0.00870379"
                           z3="8.50868"
                           zFract="0.38292889"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02736"
                           xFract="0.00324171"
                           y3="0.02412"
                           yFract="0.00285782"
                           z3="6.37683"
                           zFract="0.28698605"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10427"
                           xFract="0.24932109"
                           y3="6.3088"
                           yFract="0.74748815"
                           z3="6.35289"
                           zFract="0.28590864"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07514"
                           xFract="0.24586967"
                           y3="2.10778"
                           yFract="0.24973697"
                           z3="6.2525"
                           zFract="0.28139064"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21153"
                           xFract="0.49899645"
                           y3="6.32778"
                           yFract="0.74973697"
                           z3="4.25028"
                           zFract="0.19128173"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22806"
                           xFract="0.50095498"
                           y3="2.10775"
                           yFract="0.24973341"
                           z3="4.23033"
                           zFract="0.19038389"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18504"
                           xFract="0.49585782"
                           y3="4.2195"
                           yFract="0.49994076"
                           z3="6.36718"
                           zFract="0.28655176"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00843"
                           xFract="0.00099882"
                           y3="4.19083"
                           yFract="0.49654384"
                           z3="6.36354"
                           zFract="0.28638794"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00026"
                           xFract="0.00003081"
                           y3="6.32937"
                           yFract="0.74992536"
                           z3="4.2604"
                           zFract="0.19173717"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00492"
                           xFract="0.00058294"
                           y3="6.33771"
                           yFract="0.75091351"
                           z3="8.40071"
                           zFract="0.37806976"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21869"
                           xFract="0.49984479"
                           y3="-0.00021"
                           yFract="-0.00002488"
                           z3="6.37122"
                           zFract="0.28673357"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.01145"
                           xFract="0.00135664"
                           y3="2.13065"
                           yFract="0.25244668"
                           z3="4.20199"
                           zFract="0.18910846"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.15195"
                           xFract="-0.01800355"
                           y3="2.17246"
                           yFract="0.25740047"
                           z3="8.41144"
                           zFract="0.37855266"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08318"
                           xFract="0.24682227"
                           y3="4.19572"
                           yFract="0.49712322"
                           z3="4.21481"
                           zFract="0.18968542"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34389"
                           xFract="0.75164573"
                           y3="0.01855"
                           yFract="0.00219787"
                           z3="4.23775"
                           zFract="0.19071782"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10113"
                           xFract="0.24894905"
                           y3="4.34184"
                           yFract="0.51443602"
                           z3="8.54947"
                           zFract="0.38476463"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.31832"
                           xFract="0.74861611"
                           y3="2.09332"
                           yFract="0.2480237"
                           z3="6.3828"
                           zFract="0.28725473"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09843"
                           xFract="0.24862915"
                           y3="-0.01265"
                           yFract="-0.00149882"
                           z3="4.23104"
                           zFract="0.19041584"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.26203"
                           xFract="0.50497986"
                           y3="6.30039"
                           yFract="0.74649171"
                           z3="8.46343"
                           zFract="0.38089244"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32156"
                           xFract="0.7490"
                           y3="6.34226"
                           yFract="0.75145261"
                           z3="6.36308"
                           zFract="0.28636724"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33321"
                           xFract="0.75038033"
                           y3="4.19068"
                           yFract="0.49652607"
                           z3="4.2651"
                           zFract="0.19194869"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33235"
                           xFract="0.75027844"
                           y3="0.01256"
                           yFract="0.00148815"
                           z3="8.51267"
                           zFract="0.38310846"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.27681"
                           xFract="0.50673104"
                           y3="2.15741"
                           yFract="0.2556173"
                           z3="8.43291"
                           zFract="0.3795189"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.07798"
                           xFract="0.00923934"
                           y3="2.10802"
                           yFract="0.2497654"
                           z3="6.23752"
                           zFract="0.28071647"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.9732"
                           xFract="0.23379147"
                           y3="0.00521"
                           yFract="0.0006173"
                           z3="6.39441"
                           zFract="0.28777723"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01269"
                           xFract="0.00150355"
                           y3="-0.06391"
                           yFract="-0.00757227"
                           z3="4.25008"
                           zFract="0.19127273"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.1088"
                           xFract="0.012891"
                           y3="0.0865"
                           yFract="0.01024882"
                           z3="8.42642"
                           zFract="0.37922682"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.17947"
                           xFract="0.25823104"
                           y3="2.08415"
                           yFract="0.2469372"
                           z3="4.21084"
                           zFract="0.18950675"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30391"
                           xFract="0.27297512"
                           y3="1.94175"
                           yFract="0.23006517"
                           z3="8.77962"
                           zFract="0.39512241"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.08304"
                           xFract="0.48377251"
                           y3="2.15254"
                           yFract="0.25504028"
                           z3="6.34934"
                           zFract="0.28574887"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.51576"
                           xFract="0.77200948"
                           y3="0.00721"
                           yFract="0.00085427"
                           z3="6.41354"
                           zFract="0.28863816"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20663"
                           xFract="0.49841588"
                           y3="-0.00312"
                           yFract="-0.00036967"
                           z3="4.2905"
                           zFract="0.19309181"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.14863"
                           xFract="0.49154384"
                           y3="-0.10756"
                           yFract="-0.01274408"
                           z3="8.43013"
                           zFract="0.37939379"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26745"
                           xFract="0.74258886"
                           y3="2.0777"
                           yFract="0.24617299"
                           z3="4.23662"
                           zFract="0.19066697"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20973"
                           xFract="0.73575"
                           y3="2.08632"
                           yFract="0.24719431"
                           z3="8.63899"
                           zFract="0.38879343"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01457"
                           xFract="0.0017263"
                           y3="6.31857"
                           yFract="0.74864573"
                           z3="6.36176"
                           zFract="0.28630783"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09832"
                           xFract="0.24861611"
                           y3="4.21228"
                           yFract="0.49908531"
                           z3="6.27096"
                           zFract="0.28222142"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.08907"
                           xFract="-0.01055332"
                           y3="4.29319"
                           yFract="0.5086718"
                           z3="4.30994"
                           zFract="0.1939667"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.06852"
                           xFract="0.00811848"
                           y3="4.20405"
                           yFract="0.49811019"
                           z3="8.4743"
                           zFract="0.38138164"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10939"
                           xFract="0.24992773"
                           y3="6.32481"
                           yFract="0.74938507"
                           z3="4.20726"
                           zFract="0.18934563"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05326"
                           xFract="0.24327725"
                           y3="6.40914"
                           yFract="0.75937678"
                           z3="8.46953"
                           zFract="0.38116697"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20767"
                           xFract="0.4985391"
                           y3="6.28927"
                           yFract="0.74517417"
                           z3="6.30372"
                           zFract="0.28369577"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31259"
                           xFract="0.7479372"
                           y3="4.21292"
                           yFract="0.49916114"
                           z3="6.47884"
                           zFract="0.29157696"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.28585"
                           xFract="0.50780213"
                           y3="4.22216"
                           yFract="0.50025592"
                           z3="4.22786"
                           zFract="0.19027273"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.16159"
                           xFract="0.49307938"
                           y3="4.29198"
                           yFract="0.50852844"
                           z3="8.50177"
                           zFract="0.38261791"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32228"
                           xFract="0.74908531"
                           y3="6.36036"
                           yFract="0.75359716"
                           z3="4.19605"
                           zFract="0.18884113"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41175"
                           xFract="0.75968602"
                           y3="6.33875"
                           yFract="0.75103673"
                           z3="8.58765"
                           zFract="0.3864829"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a18 a25" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.01064"
                           xFract="0.23822749"
                           y3="2.12562"
                           yFract="0.25185071"
                           z3="9.69667"
                           zFract="0.43639379"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34978"
                           xFract="0.7523436"
                           y3="4.2169"
                           yFract="0.4996327"
                           z3="8.51183"
                           zFract="0.38307066"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12647"
                           xFract="0.25195142"
                           y3="-0.07277"
                           yFract="-0.00862204"
                           z3="8.50919"
                           zFract="0.38295185"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02728"
                           xFract="0.00323223"
                           y3="0.02463"
                           yFract="0.00291825"
                           z3="6.37726"
                           zFract="0.2870054"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10454"
                           xFract="0.24935308"
                           y3="6.3086"
                           yFract="0.74746445"
                           z3="6.35274"
                           zFract="0.28590189"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07502"
                           xFract="0.24585545"
                           y3="2.10785"
                           yFract="0.24974526"
                           z3="6.25218"
                           zFract="0.28137624"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21196"
                           xFract="0.49904739"
                           y3="6.32758"
                           yFract="0.74971327"
                           z3="4.25055"
                           zFract="0.19129388"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2283"
                           xFract="0.50098341"
                           y3="2.10771"
                           yFract="0.24972867"
                           z3="4.23106"
                           zFract="0.19041674"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18495"
                           xFract="0.49584716"
                           y3="4.2192"
                           yFract="0.49990521"
                           z3="6.36758"
                           zFract="0.28656976"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00843"
                           xFract="0.00099882"
                           y3="4.19111"
                           yFract="0.49657701"
                           z3="6.36373"
                           zFract="0.28639649"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00021"
                           xFract="-0.00002488"
                           y3="6.32931"
                           yFract="0.74991825"
                           z3="4.2605"
                           zFract="0.19174167"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0046"
                           xFract="0.00054502"
                           y3="6.33748"
                           yFract="0.75088626"
                           z3="8.40071"
                           zFract="0.37806976"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21877"
                           xFract="0.49985427"
                           y3="-0.00016"
                           yFract="-0.00001896"
                           z3="6.37083"
                           zFract="0.28671602"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.0109"
                           xFract="0.00129147"
                           y3="2.1306"
                           yFract="0.25244076"
                           z3="4.2032"
                           zFract="0.18916292"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.15185"
                           xFract="-0.01799171"
                           y3="2.17267"
                           yFract="0.25742536"
                           z3="8.4107"
                           zFract="0.37851935"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08315"
                           xFract="0.24681872"
                           y3="4.19566"
                           yFract="0.49711611"
                           z3="4.21525"
                           zFract="0.18970522"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34401"
                           xFract="0.75165995"
                           y3="0.01834"
                           yFract="0.00217299"
                           z3="4.23786"
                           zFract="0.19072277"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10029"
                           xFract="0.24884953"
                           y3="4.34188"
                           yFract="0.51444076"
                           z3="8.54973"
                           zFract="0.38477633"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.31777"
                           xFract="0.74855095"
                           y3="2.09316"
                           yFract="0.24800474"
                           z3="6.38378"
                           zFract="0.28729883"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09826"
                           xFract="0.248609"
                           y3="-0.01254"
                           yFract="-0.00148578"
                           z3="4.23104"
                           zFract="0.19041584"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.26265"
                           xFract="0.50505332"
                           y3="6.30013"
                           yFract="0.7464609"
                           z3="8.46374"
                           zFract="0.38090639"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32208"
                           xFract="0.74906161"
                           y3="6.34234"
                           yFract="0.75146209"
                           z3="6.36442"
                           zFract="0.28642754"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33296"
                           xFract="0.75035071"
                           y3="4.19054"
                           yFract="0.49650948"
                           z3="4.26523"
                           zFract="0.19195455"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33266"
                           xFract="0.75031517"
                           y3="0.01255"
                           yFract="0.00148697"
                           z3="8.51314"
                           zFract="0.38312961"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2769"
                           xFract="0.50674171"
                           y3="2.15805"
                           yFract="0.25569313"
                           z3="8.43458"
                           zFract="0.37959406"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.07826"
                           xFract="0.00927251"
                           y3="2.10869"
                           yFract="0.24984479"
                           z3="6.23836"
                           zFract="0.28075428"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97317"
                           xFract="0.23378791"
                           y3="0.00545"
                           yFract="0.00064573"
                           z3="6.39432"
                           zFract="0.28777318"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01337"
                           xFract="0.00158412"
                           y3="-0.06413"
                           yFract="-0.00759834"
                           z3="4.25053"
                           zFract="0.19129298"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10965"
                           xFract="0.01299171"
                           y3="0.08739"
                           yFract="0.01035427"
                           z3="8.42708"
                           zFract="0.37925653"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1800"
                           xFract="0.25829384"
                           y3="2.08467"
                           yFract="0.24699882"
                           z3="4.21115"
                           zFract="0.1895207"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30562"
                           xFract="0.27317773"
                           y3="1.93984"
                           yFract="0.22983886"
                           z3="8.78158"
                           zFract="0.39521062"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.08309"
                           xFract="0.48377844"
                           y3="2.15195"
                           yFract="0.25497038"
                           z3="6.3510"
                           zFract="0.28582358"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.51577"
                           xFract="0.77201066"
                           y3="0.00764"
                           yFract="0.00090521"
                           z3="6.41466"
                           zFract="0.28868857"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20585"
                           xFract="0.49832346"
                           y3="-0.00295"
                           yFract="-0.00034953"
                           z3="4.29023"
                           zFract="0.19307966"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.14764"
                           xFract="0.49142654"
                           y3="-0.10854"
                           yFract="-0.01286019"
                           z3="8.42962"
                           zFract="0.37937084"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26706"
                           xFract="0.74254265"
                           y3="2.07725"
                           yFract="0.24611967"
                           z3="4.23655"
                           zFract="0.19066382"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20851"
                           xFract="0.73560545"
                           y3="2.08632"
                           yFract="0.24719431"
                           z3="8.64106"
                           zFract="0.38888659"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01468"
                           xFract="0.00173934"
                           y3="6.31825"
                           yFract="0.74860782"
                           z3="6.36241"
                           zFract="0.28633708"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09804"
                           xFract="0.24858294"
                           y3="4.21269"
                           yFract="0.49913389"
                           z3="6.27099"
                           zFract="0.28222277"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.09005"
                           xFract="-0.01066943"
                           y3="4.29356"
                           yFract="0.50871564"
                           z3="4.31028"
                           zFract="0.193982"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.06862"
                           xFract="0.00813033"
                           y3="4.20399"
                           yFract="0.49810308"
                           z3="8.47507"
                           zFract="0.38141629"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10916"
                           xFract="0.24990047"
                           y3="6.32428"
                           yFract="0.74932227"
                           z3="4.20754"
                           zFract="0.18935824"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05252"
                           xFract="0.24318957"
                           y3="6.40934"
                           yFract="0.75940047"
                           z3="8.4697"
                           zFract="0.38117462"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20794"
                           xFract="0.49857109"
                           y3="6.28921"
                           yFract="0.74516706"
                           z3="6.30412"
                           zFract="0.28371377"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31231"
                           xFract="0.74790403"
                           y3="4.21242"
                           yFract="0.4991019"
                           z3="6.47973"
                           zFract="0.29161701"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.28657"
                           xFract="0.50788744"
                           y3="4.22195"
                           yFract="0.50023104"
                           z3="4.22862"
                           zFract="0.19030693"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.16077"
                           xFract="0.49298223"
                           y3="4.29257"
                           yFract="0.50859834"
                           z3="8.50234"
                           zFract="0.38264356"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32239"
                           xFract="0.74909834"
                           y3="6.3609"
                           yFract="0.75366114"
                           z3="4.19634"
                           zFract="0.18885419"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41225"
                           xFract="0.75974526"
                           y3="6.33893"
                           yFract="0.75105806"
                           z3="8.58811"
                           zFract="0.3865036"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a18 a25" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.01063"
                           xFract="0.2382263"
                           y3="2.12514"
                           yFract="0.25179384"
                           z3="9.69853"
                           zFract="0.4364775"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35051"
                           xFract="0.75243009"
                           y3="4.21675"
                           yFract="0.49961493"
                           z3="8.51242"
                           zFract="0.38309721"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12692"
                           xFract="0.25200474"
                           y3="-0.07372"
                           yFract="-0.0087346"
                           z3="8.50965"
                           zFract="0.38297255"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0272"
                           xFract="0.00322275"
                           y3="0.02466"
                           yFract="0.0029218"
                           z3="6.37806"
                           zFract="0.2870414"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10497"
                           xFract="0.24940403"
                           y3="6.30868"
                           yFract="0.74747393"
                           z3="6.35266"
                           zFract="0.28589829"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07543"
                           xFract="0.24590403"
                           y3="2.1081"
                           yFract="0.24977488"
                           z3="6.25284"
                           zFract="0.28140594"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21271"
                           xFract="0.49913626"
                           y3="6.32728"
                           yFract="0.74967773"
                           z3="4.2510"
                           zFract="0.19131413"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2284"
                           xFract="0.50099526"
                           y3="2.10766"
                           yFract="0.24972275"
                           z3="4.23147"
                           zFract="0.19043519"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18481"
                           xFract="0.49583057"
                           y3="4.21927"
                           yFract="0.49991351"
                           z3="6.36845"
                           zFract="0.28660891"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0084"
                           xFract="0.00099526"
                           y3="4.19147"
                           yFract="0.49661967"
                           z3="6.36394"
                           zFract="0.28640594"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00088"
                           xFract="-0.00010427"
                           y3="6.32918"
                           yFract="0.74990284"
                           z3="4.2611"
                           zFract="0.19176868"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0049"
                           xFract="0.00058057"
                           y3="6.33727"
                           yFract="0.75086137"
                           z3="8.40107"
                           zFract="0.37808596"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2186"
                           xFract="0.49983412"
                           y3="-0.00029"
                           yFract="-0.00003436"
                           z3="6.37047"
                           zFract="0.28669982"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.01017"
                           xFract="0.00120498"
                           y3="2.1306"
                           yFract="0.25244076"
                           z3="4.2044"
                           zFract="0.18921692"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.1511"
                           xFract="-0.01790284"
                           y3="2.17284"
                           yFract="0.2574455"
                           z3="8.41046"
                           zFract="0.37850855"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08315"
                           xFract="0.24681872"
                           y3="4.19575"
                           yFract="0.49712678"
                           z3="4.21513"
                           zFract="0.18969982"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34407"
                           xFract="0.75166706"
                           y3="0.01764"
                           yFract="0.00209005"
                           z3="4.2374"
                           zFract="0.19070207"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09926"
                           xFract="0.24872749"
                           y3="4.34209"
                           yFract="0.51446564"
                           z3="8.54987"
                           zFract="0.38478263"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.31696"
                           xFract="0.74845498"
                           y3="2.09338"
                           yFract="0.24803081"
                           z3="6.38465"
                           zFract="0.28733798"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09802"
                           xFract="0.24858057"
                           y3="-0.01225"
                           yFract="-0.00145142"
                           z3="4.23075"
                           zFract="0.19040279"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.26278"
                           xFract="0.50506872"
                           y3="6.30022"
                           yFract="0.74647156"
                           z3="8.46387"
                           zFract="0.38091224"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32236"
                           xFract="0.74909479"
                           y3="6.34227"
                           yFract="0.75145379"
                           z3="6.36507"
                           zFract="0.2864568"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33297"
                           xFract="0.7503519"
                           y3="4.19087"
                           yFract="0.49654858"
                           z3="4.26535"
                           zFract="0.19195995"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33265"
                           xFract="0.75031398"
                           y3="0.01268"
                           yFract="0.00150237"
                           z3="8.51349"
                           zFract="0.38314536"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.27735"
                           xFract="0.50679502"
                           y3="2.15883"
                           yFract="0.25578555"
                           z3="8.43674"
                           zFract="0.37969127"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.07885"
                           xFract="0.00934242"
                           y3="2.10952"
                           yFract="0.24994313"
                           z3="6.23992"
                           zFract="0.28082448"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97327"
                           xFract="0.23379976"
                           y3="0.00556"
                           yFract="0.00065877"
                           z3="6.39399"
                           zFract="0.28775833"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01448"
                           xFract="0.00171564"
                           y3="-0.06411"
                           yFract="-0.00759597"
                           z3="4.25125"
                           zFract="0.19132538"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10994"
                           xFract="0.01302607"
                           y3="0.08771"
                           yFract="0.01039218"
                           z3="8.42766"
                           zFract="0.37928263"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18051"
                           xFract="0.25835427"
                           y3="2.08578"
                           yFract="0.24713033"
                           z3="4.2109"
                           zFract="0.18950945"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30628"
                           xFract="0.27325592"
                           y3="1.93851"
                           yFract="0.22968128"
                           z3="8.78459"
                           zFract="0.39534608"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.08311"
                           xFract="0.48378081"
                           y3="2.15173"
                           yFract="0.25494431"
                           z3="6.35282"
                           zFract="0.28590549"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.51509"
                           xFract="0.77193009"
                           y3="0.00791"
                           yFract="0.0009372"
                           z3="6.41591"
                           zFract="0.28874482"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20462"
                           xFract="0.49817773"
                           y3="-0.00319"
                           yFract="-0.00037796"
                           z3="4.2895"
                           zFract="0.1930468"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.1466"
                           xFract="0.49130332"
                           y3="-0.10941"
                           yFract="-0.01296327"
                           z3="8.42982"
                           zFract="0.37937984"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26662"
                           xFract="0.74249052"
                           y3="2.07633"
                           yFract="0.24601066"
                           z3="4.23662"
                           zFract="0.19066697"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20765"
                           xFract="0.73550355"
                           y3="2.08627"
                           yFract="0.24718839"
                           z3="8.64438"
                           zFract="0.389036"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01461"
                           xFract="0.00173104"
                           y3="6.31847"
                           yFract="0.74863389"
                           z3="6.36277"
                           zFract="0.28635329"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09796"
                           xFract="0.24857346"
                           y3="4.21265"
                           yFract="0.49912915"
                           z3="6.27131"
                           zFract="0.28223717"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.09114"
                           xFract="-0.01079858"
                           y3="4.29351"
                           yFract="0.50870972"
                           z3="4.31087"
                           zFract="0.19400855"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.06787"
                           xFract="0.00804147"
                           y3="4.20405"
                           yFract="0.49811019"
                           z3="8.47549"
                           zFract="0.38143519"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10932"
                           xFract="0.24991943"
                           y3="6.32356"
                           yFract="0.74923697"
                           z3="4.20742"
                           zFract="0.18935284"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.05171"
                           xFract="0.2430936"
                           y3="6.41048"
                           yFract="0.75953555"
                           z3="8.46994"
                           zFract="0.38118542"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20845"
                           xFract="0.49863152"
                           y3="6.28861"
                           yFract="0.74509597"
                           z3="6.30471"
                           zFract="0.28374032"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31242"
                           xFract="0.74791706"
                           y3="4.21222"
                           yFract="0.4990782"
                           z3="6.48022"
                           zFract="0.29163906"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.28722"
                           xFract="0.50796445"
                           y3="4.22171"
                           yFract="0.50020261"
                           z3="4.22927"
                           zFract="0.19033618"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15995"
                           xFract="0.49288507"
                           y3="4.29275"
                           yFract="0.50861967"
                           z3="8.50303"
                           zFract="0.38267462"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32234"
                           xFract="0.74909242"
                           y3="6.36196"
                           yFract="0.75378673"
                           z3="4.19734"
                           zFract="0.18889919"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.4123"
                           xFract="0.75975118"
                           y3="6.3394"
                           yFract="0.75111374"
                           z3="8.58862"
                           zFract="0.38652655"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a18 a25" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a67" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.01058"
                           xFract="0.23822038"
                           y3="2.12371"
                           yFract="0.25162441"
                           z3="9.70409"
                           zFract="0.43672772"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35271"
                           xFract="0.75269076"
                           y3="4.21631"
                           yFract="0.4995628"
                           z3="8.51418"
                           zFract="0.38317642"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12826"
                           xFract="0.25216351"
                           y3="-0.07658"
                           yFract="-0.00907346"
                           z3="8.51103"
                           zFract="0.38303465"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02696"
                           xFract="0.00319431"
                           y3="0.02476"
                           yFract="0.00293365"
                           z3="6.38046"
                           zFract="0.28714941"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10626"
                           xFract="0.24955687"
                           y3="6.30895"
                           yFract="0.74750592"
                           z3="6.3524"
                           zFract="0.28588659"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07666"
                           xFract="0.24604976"
                           y3="2.10883"
                           yFract="0.24986137"
                           z3="6.25483"
                           zFract="0.2814955"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21497"
                           xFract="0.49940403"
                           y3="6.32638"
                           yFract="0.74957109"
                           z3="4.25234"
                           zFract="0.19137444"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22872"
                           xFract="0.50103318"
                           y3="2.10749"
                           yFract="0.24970261"
                           z3="4.23269"
                           zFract="0.1904901"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18437"
                           xFract="0.49577844"
                           y3="4.21947"
                           yFract="0.4999372"
                           z3="6.37106"
                           zFract="0.28672637"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00829"
                           xFract="0.00098223"
                           y3="4.19256"
                           yFract="0.49674882"
                           z3="6.36457"
                           zFract="0.28643429"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00289"
                           xFract="-0.00034242"
                           y3="6.32879"
                           yFract="0.74985664"
                           z3="4.2629"
                           zFract="0.19184968"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00578"
                           xFract="0.00068483"
                           y3="6.33665"
                           yFract="0.75078791"
                           z3="8.40214"
                           zFract="0.37813411"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21811"
                           xFract="0.49977607"
                           y3="-0.00068"
                           yFract="-0.00008057"
                           z3="6.36939"
                           zFract="0.28665122"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.00797"
                           xFract="0.00094431"
                           y3="2.13061"
                           yFract="0.25244194"
                           z3="4.20801"
                           zFract="0.18937939"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.14886"
                           xFract="-0.01763744"
                           y3="2.17337"
                           yFract="0.25750829"
                           z3="8.40971"
                           zFract="0.3784748"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08316"
                           xFract="0.24681991"
                           y3="4.19602"
                           yFract="0.49715877"
                           z3="4.21477"
                           zFract="0.18968362"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34425"
                           xFract="0.75168839"
                           y3="0.01553"
                           yFract="0.00184005"
                           z3="4.23602"
                           zFract="0.19063996"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09616"
                           xFract="0.24836019"
                           y3="4.34273"
                           yFract="0.51454147"
                           z3="8.55029"
                           zFract="0.38480153"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3145"
                           xFract="0.74816351"
                           y3="2.09405"
                           yFract="0.24811019"
                           z3="6.38725"
                           zFract="0.287455"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09729"
                           xFract="0.24849408"
                           y3="-0.01135"
                           yFract="-0.00134479"
                           z3="4.22988"
                           zFract="0.19036364"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.26317"
                           xFract="0.50511493"
                           y3="6.3005"
                           yFract="0.74650474"
                           z3="8.46424"
                           zFract="0.38092889"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32318"
                           xFract="0.74919194"
                           y3="6.34207"
                           yFract="0.75143009"
                           z3="6.3670"
                           zFract="0.28654365"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33297"
                           xFract="0.7503519"
                           y3="4.19186"
                           yFract="0.49666588"
                           z3="4.26573"
                           zFract="0.19197705"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33264"
                           xFract="0.7503128"
                           y3="0.01308"
                           yFract="0.00154976"
                           z3="8.51454"
                           zFract="0.38319262"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.27868"
                           xFract="0.50695261"
                           y3="2.16114"
                           yFract="0.25605924"
                           z3="8.44322"
                           zFract="0.3799829"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08061"
                           xFract="0.00955095"
                           y3="2.11201"
                           yFract="0.25023815"
                           z3="6.24458"
                           zFract="0.2810342"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97357"
                           xFract="0.23383531"
                           y3="0.00589"
                           yFract="0.00069787"
                           z3="6.39297"
                           zFract="0.28771242"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01782"
                           xFract="0.00211137"
                           y3="-0.06407"
                           yFract="-0.00759123"
                           z3="4.25338"
                           zFract="0.19142124"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11082"
                           xFract="0.01313033"
                           y3="0.08867"
                           yFract="0.01050592"
                           z3="8.42942"
                           zFract="0.37936184"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18204"
                           xFract="0.25853555"
                           y3="2.08911"
                           yFract="0.24752488"
                           z3="4.21014"
                           zFract="0.18947525"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30825"
                           xFract="0.27348934"
                           y3="1.93455"
                           yFract="0.22921209"
                           z3="8.79364"
                           zFract="0.39575338"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.08317"
                           xFract="0.48378791"
                           y3="2.15107"
                           yFract="0.25486611"
                           z3="6.35827"
                           zFract="0.28615077"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.51303"
                           xFract="0.77168602"
                           y3="0.00872"
                           yFract="0.00103318"
                           z3="6.41966"
                           zFract="0.28891359"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20091"
                           xFract="0.49773815"
                           y3="-0.0039"
                           yFract="-0.00046209"
                           z3="4.28731"
                           zFract="0.19294824"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.14347"
                           xFract="0.49093246"
                           y3="-0.11203"
                           yFract="-0.0132737"
                           z3="8.43041"
                           zFract="0.37940639"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2653"
                           xFract="0.74233412"
                           y3="2.07359"
                           yFract="0.24568602"
                           z3="4.23685"
                           zFract="0.19067732"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20505"
                           xFract="0.7351955"
                           y3="2.08613"
                           yFract="0.2471718"
                           z3="8.65436"
                           zFract="0.38948515"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01441"
                           xFract="0.00170735"
                           y3="6.31914"
                           yFract="0.74871327"
                           z3="6.36385"
                           zFract="0.28640189"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09775"
                           xFract="0.24854858"
                           y3="4.21253"
                           yFract="0.49911493"
                           z3="6.27225"
                           zFract="0.28227948"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.09442"
                           xFract="-0.0111872"
                           y3="4.29336"
                           yFract="0.50869194"
                           z3="4.31265"
                           zFract="0.19408866"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.06561"
                           xFract="0.0077737"
                           y3="4.20423"
                           yFract="0.49813152"
                           z3="8.47677"
                           zFract="0.3814928"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10979"
                           xFract="0.24997512"
                           y3="6.32142"
                           yFract="0.74898341"
                           z3="4.20706"
                           zFract="0.18933663"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04927"
                           xFract="0.2428045"
                           y3="6.4139"
                           yFract="0.75994076"
                           z3="8.47066"
                           zFract="0.38121782"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20998"
                           xFract="0.4988128"
                           y3="6.28683"
                           yFract="0.74488507"
                           z3="6.30649"
                           zFract="0.28382043"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31275"
                           xFract="0.74795616"
                           y3="4.21162"
                           yFract="0.49900711"
                           z3="6.4817"
                           zFract="0.29170567"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.28918"
                           xFract="0.50819668"
                           y3="4.22099"
                           yFract="0.5001173"
                           z3="4.23122"
                           zFract="0.19042394"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1575"
                           xFract="0.49259479"
                           y3="4.29328"
                           yFract="0.50868246"
                           z3="8.5051"
                           zFract="0.38276778"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32219"
                           xFract="0.74907464"
                           y3="6.36516"
                           yFract="0.75416588"
                           z3="4.20034"
                           zFract="0.1890342"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41245"
                           xFract="0.75976896"
                           y3="6.3408"
                           yFract="0.75127962"
                           z3="8.59015"
                           zFract="0.38659541"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a18 a25" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a50" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.01049"
                           xFract="0.23820972"
                           y3="2.12085"
                           yFract="0.25128555"
                           z3="9.71523"
                           zFract="0.43722907"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35711"
                           xFract="0.75321209"
                           y3="4.21544"
                           yFract="0.49945972"
                           z3="8.51769"
                           zFract="0.38333438"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13095"
                           xFract="0.25248223"
                           y3="-0.0823"
                           yFract="-0.00975118"
                           z3="8.51379"
                           zFract="0.38315887"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02648"
                           xFract="0.00313744"
                           y3="0.02497"
                           yFract="0.00295853"
                           z3="6.38525"
                           zFract="0.28736499"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10884"
                           xFract="0.24986256"
                           y3="6.30948"
                           yFract="0.74756872"
                           z3="6.3519"
                           zFract="0.28586409"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07912"
                           xFract="0.24634123"
                           y3="2.1103"
                           yFract="0.25003555"
                           z3="6.2588"
                           zFract="0.28167417"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21947"
                           xFract="0.4999372"
                           y3="6.32458"
                           yFract="0.74935782"
                           z3="4.25503"
                           zFract="0.1914955"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22934"
                           xFract="0.50110664"
                           y3="2.10715"
                           yFract="0.24966232"
                           z3="4.23512"
                           zFract="0.19059946"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18351"
                           xFract="0.49567654"
                           y3="4.21986"
                           yFract="0.49998341"
                           z3="6.37628"
                           zFract="0.2869613"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00807"
                           xFract="0.00095616"
                           y3="4.19473"
                           yFract="0.49700592"
                           z3="6.36582"
                           zFract="0.28649055"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00691"
                           xFract="-0.00081872"
                           y3="6.32802"
                           yFract="0.7497654"
                           z3="4.2665"
                           zFract="0.1920117"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00755"
                           xFract="0.00089455"
                           y3="6.33542"
                           yFract="0.75064218"
                           z3="8.40429"
                           zFract="0.37823087"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21712"
                           xFract="0.49965877"
                           y3="-0.00146"
                           yFract="-0.00017299"
                           z3="6.36724"
                           zFract="0.28655446"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.00356"
                           xFract="0.0004218"
                           y3="2.13062"
                           yFract="0.25244313"
                           z3="4.21523"
                           zFract="0.18970432"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.14438"
                           xFract="-0.01710664"
                           y3="2.17441"
                           yFract="0.25763152"
                           z3="8.40823"
                           zFract="0.37840819"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08317"
                           xFract="0.24682109"
                           y3="4.19656"
                           yFract="0.49722275"
                           z3="4.21404"
                           zFract="0.18965077"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34462"
                           xFract="0.75173223"
                           y3="0.0113"
                           yFract="0.00133886"
                           z3="4.23326"
                           zFract="0.19051575"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08996"
                           xFract="0.24762559"
                           y3="4.34402"
                           yFract="0.51469431"
                           z3="8.55114"
                           zFract="0.38483978"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3096"
                           xFract="0.74758294"
                           y3="2.09538"
                           yFract="0.24826777"
                           z3="6.39245"
                           zFract="0.28768902"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09582"
                           xFract="0.24831991"
                           y3="-0.00956"
                           yFract="-0.0011327"
                           z3="4.22814"
                           zFract="0.19028533"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.26396"
                           xFract="0.50520853"
                           y3="6.30105"
                           yFract="0.74656991"
                           z3="8.46499"
                           zFract="0.38096265"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32483"
                           xFract="0.74938744"
                           y3="6.34165"
                           yFract="0.75138033"
                           z3="6.37088"
                           zFract="0.28671827"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33299"
                           xFract="0.75035427"
                           y3="4.19383"
                           yFract="0.49689929"
                           z3="4.26649"
                           zFract="0.19201125"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33261"
                           xFract="0.75030924"
                           y3="0.01388"
                           yFract="0.00164455"
                           z3="8.51664"
                           zFract="0.38328713"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.28136"
                           xFract="0.50727014"
                           y3="2.16578"
                           yFract="0.256609"
                           z3="8.45619"
                           zFract="0.38056661"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08415"
                           xFract="0.00997038"
                           y3="2.11698"
                           yFract="0.25082701"
                           z3="6.25391"
                           zFract="0.2814541"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97417"
                           xFract="0.2339064"
                           y3="0.00655"
                           yFract="0.00077607"
                           z3="6.39095"
                           zFract="0.28762151"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02451"
                           xFract="0.00290403"
                           y3="-0.06399"
                           yFract="-0.00758175"
                           z3="4.25765"
                           zFract="0.19161341"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11259"
                           xFract="0.01334005"
                           y3="0.09059"
                           yFract="0.01073341"
                           z3="8.43294"
                           zFract="0.37952025"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1851"
                           xFract="0.2588981"
                           y3="2.09578"
                           yFract="0.24831517"
                           z3="4.20864"
                           zFract="0.18940774"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31221"
                           xFract="0.27395853"
                           y3="1.92662"
                           yFract="0.22827251"
                           z3="8.81173"
                           zFract="0.39656751"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.08329"
                           xFract="0.48380213"
                           y3="2.14975"
                           yFract="0.25470972"
                           z3="6.36918"
                           zFract="0.28664176"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50892"
                           xFract="0.77119905"
                           y3="0.01035"
                           yFract="0.0012263"
                           z3="6.42717"
                           zFract="0.28925158"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.19351"
                           xFract="0.49686137"
                           y3="-0.00534"
                           yFract="-0.0006327"
                           z3="4.28293"
                           zFract="0.19275113"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13722"
                           xFract="0.49019194"
                           y3="-0.11726"
                           yFract="-0.01389336"
                           z3="8.43159"
                           zFract="0.3794595"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26267"
                           xFract="0.74202251"
                           y3="2.0681"
                           yFract="0.24503555"
                           z3="4.23729"
                           zFract="0.19069712"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.19985"
                           xFract="0.73457938"
                           y3="2.08584"
                           yFract="0.24713744"
                           z3="8.67432"
                           zFract="0.39038344"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01399"
                           xFract="0.00165758"
                           y3="6.32048"
                           yFract="0.74887204"
                           z3="6.36601"
                           zFract="0.2864991"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09731"
                           xFract="0.24849645"
                           y3="4.21229"
                           yFract="0.49908649"
                           z3="6.27414"
                           zFract="0.28236454"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.10098"
                           xFract="-0.01196445"
                           y3="4.29306"
                           yFract="0.5086564"
                           z3="4.3162"
                           zFract="0.19424842"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0611"
                           xFract="0.00723934"
                           y3="4.20458"
                           yFract="0.49817299"
                           z3="8.47933"
                           zFract="0.38160801"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11073"
                           xFract="0.25008649"
                           y3="6.31713"
                           yFract="0.74847512"
                           z3="4.20635"
                           zFract="0.18930468"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04439"
                           xFract="0.2422263"
                           y3="6.42075"
                           yFract="0.76075237"
                           z3="8.4721"
                           zFract="0.38128263"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21304"
                           xFract="0.49917536"
                           y3="6.28327"
                           yFract="0.74446327"
                           z3="6.31004"
                           zFract="0.2839802"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3134"
                           xFract="0.74803318"
                           y3="4.21042"
                           yFract="0.49886493"
                           z3="6.48466"
                           zFract="0.29183888"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.29309"
                           xFract="0.50865995"
                           y3="4.21955"
                           yFract="0.49994668"
                           z3="4.23512"
                           zFract="0.19059946"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1526"
                           xFract="0.49201422"
                           y3="4.29436"
                           yFract="0.50881043"
                           z3="8.50924"
                           zFract="0.3829541"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32189"
                           xFract="0.7490391"
                           y3="6.37155"
                           yFract="0.75492299"
                           z3="4.20635"
                           zFract="0.18930468"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41275"
                           xFract="0.7598045"
                           y3="6.34361"
                           yFract="0.75161256"
                           z3="8.59321"
                           zFract="0.38673312"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a18 a25" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.00991"
                           xFract="0.238141"
                           y3="2.11955"
                           yFract="0.25113152"
                           z3="9.7250"
                           zFract="0.43766877"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35775"
                           xFract="0.75328791"
                           y3="4.21469"
                           yFract="0.49937085"
                           z3="8.51992"
                           zFract="0.38343474"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13203"
                           xFract="0.25261019"
                           y3="-0.08371"
                           yFract="-0.00991825"
                           z3="8.51586"
                           zFract="0.38325203"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0262"
                           xFract="0.00310427"
                           y3="0.02457"
                           yFract="0.00291114"
                           z3="6.38729"
                           zFract="0.2874568"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10933"
                           xFract="0.24992062"
                           y3="6.31058"
                           yFract="0.74769905"
                           z3="6.35194"
                           zFract="0.28586589"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.0810"
                           xFract="0.24656398"
                           y3="2.11088"
                           yFract="0.25010427"
                           z3="6.26172"
                           zFract="0.28180558"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.22002"
                           xFract="0.50000237"
                           y3="6.32402"
                           yFract="0.74929147"
                           z3="4.25617"
                           zFract="0.1915468"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22931"
                           xFract="0.50110308"
                           y3="2.10695"
                           yFract="0.24963863"
                           z3="4.23532"
                           zFract="0.19060846"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18335"
                           xFract="0.49565758"
                           y3="4.22005"
                           yFract="0.50000592"
                           z3="6.37929"
                           zFract="0.28709676"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00787"
                           xFract="0.00093246"
                           y3="4.19537"
                           yFract="0.49708175"
                           z3="6.36654"
                           zFract="0.28652295"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.0070"
                           xFract="-0.00082938"
                           y3="6.32814"
                           yFract="0.74977962"
                           z3="4.26843"
                           zFract="0.19209856"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00795"
                           xFract="0.00094194"
                           y3="6.33586"
                           yFract="0.75069431"
                           z3="8.40618"
                           zFract="0.37831593"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2161"
                           xFract="0.49953791"
                           y3="-0.0021"
                           yFract="-0.00024882"
                           z3="6.36759"
                           zFract="0.28657021"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.00203"
                           xFract="0.00024052"
                           y3="2.13067"
                           yFract="0.25244905"
                           z3="4.21759"
                           zFract="0.18981053"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.14216"
                           xFract="-0.0168436"
                           y3="2.17396"
                           yFract="0.2575782"
                           z3="8.40902"
                           zFract="0.37844374"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08326"
                           xFract="0.24683175"
                           y3="4.1971"
                           yFract="0.49728673"
                           z3="4.21292"
                           zFract="0.18960036"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34439"
                           xFract="0.75170498"
                           y3="0.01076"
                           yFract="0.00127488"
                           z3="4.23212"
                           zFract="0.19046445"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08828"
                           xFract="0.24742654"
                           y3="4.34462"
                           yFract="0.5147654"
                           z3="8.55151"
                           zFract="0.38485644"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.30803"
                           xFract="0.74739692"
                           y3="2.09658"
                           yFract="0.24840995"
                           z3="6.39402"
                           zFract="0.28775968"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09541"
                           xFract="0.24827133"
                           y3="-0.00881"
                           yFract="-0.00104384"
                           z3="4.22719"
                           zFract="0.19024257"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.26345"
                           xFract="0.5051481"
                           y3="6.30075"
                           yFract="0.74653436"
                           z3="8.46559"
                           zFract="0.38098965"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32459"
                           xFract="0.749359"
                           y3="6.34147"
                           yFract="0.751359"
                           z3="6.37149"
                           zFract="0.28674572"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33269"
                           xFract="0.75031872"
                           y3="4.19404"
                           yFract="0.49692417"
                           z3="4.26706"
                           zFract="0.1920369"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33172"
                           xFract="0.75020379"
                           y3="0.01522"
                           yFract="0.00180332"
                           z3="8.51815"
                           zFract="0.38335509"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.28027"
                           xFract="0.507141"
                           y3="2.16762"
                           yFract="0.25682701"
                           z3="8.46232"
                           zFract="0.38084248"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08484"
                           xFract="0.01005213"
                           y3="2.11784"
                           yFract="0.25092891"
                           z3="6.25864"
                           zFract="0.28166697"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97458"
                           xFract="0.23395498"
                           y3="0.00646"
                           yFract="0.0007654"
                           z3="6.39019"
                           zFract="0.28758731"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02722"
                           xFract="0.00322512"
                           y3="-0.06294"
                           yFract="-0.00745735"
                           z3="4.25991"
                           zFract="0.19171512"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11288"
                           xFract="0.01337441"
                           y3="0.08994"
                           yFract="0.0106564"
                           z3="8.4336"
                           zFract="0.37954995"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18535"
                           xFract="0.25892773"
                           y3="2.1001"
                           yFract="0.24882701"
                           z3="4.20786"
                           zFract="0.18937264"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31404"
                           xFract="0.27417536"
                           y3="1.92318"
                           yFract="0.22786493"
                           z3="8.81275"
                           zFract="0.39661341"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.0835"
                           xFract="0.48382701"
                           y3="2.15019"
                           yFract="0.25476185"
                           z3="6.37187"
                           zFract="0.28676283"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50665"
                           xFract="0.77093009"
                           y3="0.01122"
                           yFract="0.00132938"
                           z3="6.42867"
                           zFract="0.28931908"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.19023"
                           xFract="0.49647275"
                           y3="-0.00664"
                           yFract="-0.00078673"
                           z3="4.28168"
                           zFract="0.19269487"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13544"
                           xFract="0.48998104"
                           y3="-0.11887"
                           yFract="-0.01408412"
                           z3="8.43311"
                           zFract="0.3795279"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26211"
                           xFract="0.74195616"
                           y3="2.0643"
                           yFract="0.24458531"
                           z3="4.23754"
                           zFract="0.19070837"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20187"
                           xFract="0.73481872"
                           y3="2.08494"
                           yFract="0.24703081"
                           z3="8.68441"
                           zFract="0.39083753"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01364"
                           xFract="0.00161611"
                           y3="6.32186"
                           yFract="0.74903555"
                           z3="6.36606"
                           zFract="0.28650135"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09784"
                           xFract="0.24855924"
                           y3="4.21173"
                           yFract="0.49902014"
                           z3="6.27518"
                           zFract="0.28241134"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.10324"
                           xFract="-0.01223223"
                           y3="4.29186"
                           yFract="0.50851422"
                           z3="4.3176"
                           zFract="0.19431143"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05815"
                           xFract="0.00688981"
                           y3="4.20526"
                           yFract="0.49825355"
                           z3="8.47945"
                           zFract="0.38161341"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11164"
                           xFract="0.25019431"
                           y3="6.31429"
                           yFract="0.74813863"
                           z3="4.20575"
                           zFract="0.18927768"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04354"
                           xFract="0.24212559"
                           y3="6.4228"
                           yFract="0.76099526"
                           z3="8.47206"
                           zFract="0.38128083"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21411"
                           xFract="0.49930213"
                           y3="6.28184"
                           yFract="0.74429384"
                           z3="6.31088"
                           zFract="0.284018"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31421"
                           xFract="0.74812915"
                           y3="4.21031"
                           yFract="0.4988519"
                           z3="6.48548"
                           zFract="0.29187579"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.29514"
                           xFract="0.50890284"
                           y3="4.21935"
                           yFract="0.49992299"
                           z3="4.23601"
                           zFract="0.19063951"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15062"
                           xFract="0.49177962"
                           y3="4.29474"
                           yFract="0.50885545"
                           z3="8.51098"
                           zFract="0.3830324"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32161"
                           xFract="0.74900592"
                           y3="6.37467"
                           yFract="0.75529265"
                           z3="4.20829"
                           zFract="0.18939199"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41248"
                           xFract="0.75977251"
                           y3="6.3449"
                           yFract="0.7517654"
                           z3="8.59421"
                           zFract="0.38677813"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a18 a25" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.00962"
                           xFract="0.23810664"
                           y3="2.11889"
                           yFract="0.25105332"
                           z3="9.72992"
                           zFract="0.43789019"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35807"
                           xFract="0.75332583"
                           y3="4.21431"
                           yFract="0.49932583"
                           z3="8.52104"
                           zFract="0.38348515"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13258"
                           xFract="0.25267536"
                           y3="-0.08442"
                           yFract="-0.01000237"
                           z3="8.5169"
                           zFract="0.38329883"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02606"
                           xFract="0.00308768"
                           y3="0.02437"
                           yFract="0.00288744"
                           z3="6.38832"
                           zFract="0.28750315"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10957"
                           xFract="0.24994905"
                           y3="6.31114"
                           yFract="0.7477654"
                           z3="6.35196"
                           zFract="0.28586679"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08195"
                           xFract="0.24667654"
                           y3="2.11118"
                           yFract="0.25013981"
                           z3="6.26318"
                           zFract="0.28187129"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.22029"
                           xFract="0.50003436"
                           y3="6.32374"
                           yFract="0.74925829"
                           z3="4.25674"
                           zFract="0.19157246"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22929"
                           xFract="0.50110071"
                           y3="2.10686"
                           yFract="0.24962796"
                           z3="4.23541"
                           zFract="0.19061251"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18328"
                           xFract="0.49564929"
                           y3="4.22015"
                           yFract="0.50001777"
                           z3="6.3808"
                           zFract="0.28716472"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00777"
                           xFract="0.00092062"
                           y3="4.19569"
                           yFract="0.49711967"
                           z3="6.3669"
                           zFract="0.28653915"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00705"
                           xFract="-0.00083531"
                           y3="6.3282"
                           yFract="0.74978673"
                           z3="4.2694"
                           zFract="0.19214221"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00816"
                           xFract="0.00096682"
                           y3="6.33608"
                           yFract="0.75072038"
                           z3="8.40713"
                           zFract="0.37835869"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21558"
                           xFract="0.4994763"
                           y3="-0.00242"
                           yFract="-0.00028673"
                           z3="6.36777"
                           zFract="0.28657831"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.00126"
                           xFract="0.00014929"
                           y3="2.13069"
                           yFract="0.25245142"
                           z3="4.21877"
                           zFract="0.18986364"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.14104"
                           xFract="-0.0167109"
                           y3="2.17373"
                           yFract="0.25755095"
                           z3="8.40942"
                           zFract="0.37846175"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08331"
                           xFract="0.24683768"
                           y3="4.19738"
                           yFract="0.49731991"
                           z3="4.21236"
                           zFract="0.18957516"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34428"
                           xFract="0.75169194"
                           y3="0.01048"
                           yFract="0.00124171"
                           z3="4.23154"
                           zFract="0.19043834"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08743"
                           xFract="0.24732583"
                           y3="4.34492"
                           yFract="0.51480095"
                           z3="8.55169"
                           zFract="0.38486454"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.30723"
                           xFract="0.74730213"
                           y3="2.09718"
                           yFract="0.24848104"
                           z3="6.39481"
                           zFract="0.28779523"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09521"
                           xFract="0.24824763"
                           y3="-0.00842"
                           yFract="-0.00099763"
                           z3="4.22671"
                           zFract="0.19022097"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2632"
                           xFract="0.50511848"
                           y3="6.3006"
                           yFract="0.74651659"
                           z3="8.46589"
                           zFract="0.38100315"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32447"
                           xFract="0.74934479"
                           y3="6.34138"
                           yFract="0.75134834"
                           z3="6.3718"
                           zFract="0.28675968"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33253"
                           xFract="0.75029976"
                           y3="4.19415"
                           yFract="0.4969372"
                           z3="4.26734"
                           zFract="0.1920495"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33127"
                           xFract="0.75015047"
                           y3="0.0159"
                           yFract="0.00188389"
                           z3="8.51891"
                           zFract="0.38338929"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.27973"
                           xFract="0.50707701"
                           y3="2.16855"
                           yFract="0.2569372"
                           z3="8.4654"
                           zFract="0.3809811"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08519"
                           xFract="0.0100936"
                           y3="2.11828"
                           yFract="0.25098104"
                           z3="6.26102"
                           zFract="0.28177408"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97479"
                           xFract="0.23397986"
                           y3="0.00641"
                           yFract="0.00075948"
                           z3="6.38981"
                           zFract="0.28757021"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02858"
                           xFract="0.00338626"
                           y3="-0.06241"
                           yFract="-0.00739455"
                           z3="4.26104"
                           zFract="0.19176598"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11304"
                           xFract="0.01339336"
                           y3="0.08961"
                           yFract="0.0106173"
                           z3="8.43393"
                           zFract="0.37956481"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18548"
                           xFract="0.25894313"
                           y3="2.10228"
                           yFract="0.24908531"
                           z3="4.20747"
                           zFract="0.18935509"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31496"
                           xFract="0.27428436"
                           y3="1.92146"
                           yFract="0.22766114"
                           z3="8.81326"
                           zFract="0.39663636"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.08361"
                           xFract="0.48384005"
                           y3="2.15041"
                           yFract="0.25478791"
                           z3="6.37323"
                           zFract="0.28682403"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50551"
                           xFract="0.77079502"
                           y3="0.01166"
                           yFract="0.00138152"
                           z3="6.42943"
                           zFract="0.28935329"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.18859"
                           xFract="0.49627844"
                           y3="-0.0073"
                           yFract="-0.00086493"
                           z3="4.28104"
                           zFract="0.19266607"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13454"
                           xFract="0.48987441"
                           y3="-0.11968"
                           yFract="-0.01418009"
                           z3="8.43387"
                           zFract="0.37956211"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26183"
                           xFract="0.74192299"
                           y3="2.06239"
                           yFract="0.244359"
                           z3="4.23767"
                           zFract="0.19071422"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20289"
                           xFract="0.73493957"
                           y3="2.08448"
                           yFract="0.2469763"
                           z3="8.68948"
                           zFract="0.39106571"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01346"
                           xFract="0.00159479"
                           y3="6.32256"
                           yFract="0.74911848"
                           z3="6.36608"
                           zFract="0.28650225"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0981"
                           xFract="0.24859005"
                           y3="4.21145"
                           yFract="0.49898697"
                           z3="6.2757"
                           zFract="0.28243474"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.10438"
                           xFract="-0.0123673"
                           y3="4.29125"
                           yFract="0.50844194"
                           z3="4.3183"
                           zFract="0.19434293"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05667"
                           xFract="0.00671445"
                           y3="4.2056"
                           yFract="0.49829384"
                           z3="8.47951"
                           zFract="0.38161611"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1121"
                           xFract="0.25024882"
                           y3="6.31286"
                           yFract="0.74796919"
                           z3="4.20544"
                           zFract="0.18926373"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04312"
                           xFract="0.24207583"
                           y3="6.42383"
                           yFract="0.7611173"
                           z3="8.47204"
                           zFract="0.38127993"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21465"
                           xFract="0.49936611"
                           y3="6.28111"
                           yFract="0.74420735"
                           z3="6.31131"
                           zFract="0.28403735"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31461"
                           xFract="0.74817654"
                           y3="4.21025"
                           yFract="0.49884479"
                           z3="6.48589"
                           zFract="0.29189424"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.29617"
                           xFract="0.50902488"
                           y3="4.21926"
                           yFract="0.49991232"
                           z3="4.23645"
                           zFract="0.19065932"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14962"
                           xFract="0.49166114"
                           y3="4.29494"
                           yFract="0.50887915"
                           z3="8.51186"
                           zFract="0.38307201"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32148"
                           xFract="0.74899052"
                           y3="6.37624"
                           yFract="0.75547867"
                           z3="4.20927"
                           zFract="0.18943609"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41234"
                           xFract="0.75975592"
                           y3="6.34555"
                           yFract="0.75184242"
                           z3="8.5947"
                           zFract="0.38680018"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a18 a25" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.01044"
                           xFract="0.23820379"
                           y3="2.11731"
                           yFract="0.25086611"
                           z3="9.73269"
                           zFract="0.43801485"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35815"
                           xFract="0.75333531"
                           y3="4.21381"
                           yFract="0.49926659"
                           z3="8.52239"
                           zFract="0.3835459"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13307"
                           xFract="0.25273341"
                           y3="-0.08477"
                           yFract="-0.01004384"
                           z3="8.51825"
                           zFract="0.38335959"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02583"
                           xFract="0.00306043"
                           y3="0.02415"
                           yFract="0.00286137"
                           z3="6.38934"
                           zFract="0.28754905"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10968"
                           xFract="0.24996209"
                           y3="6.31188"
                           yFract="0.74785308"
                           z3="6.35204"
                           zFract="0.28587039"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08302"
                           xFract="0.24680332"
                           y3="2.11146"
                           yFract="0.25017299"
                           z3="6.26494"
                           zFract="0.2819505"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.22022"
                           xFract="0.50002607"
                           y3="6.32346"
                           yFract="0.74922512"
                           z3="4.25732"
                           zFract="0.19159856"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22921"
                           xFract="0.50109123"
                           y3="2.10674"
                           yFract="0.24961374"
                           z3="4.23538"
                           zFract="0.19061116"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18327"
                           xFract="0.4956481"
                           y3="4.22019"
                           yFract="0.50002251"
                           z3="6.38258"
                           zFract="0.28724482"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00766"
                           xFract="0.00090758"
                           y3="4.19594"
                           yFract="0.49714929"
                           z3="6.36737"
                           zFract="0.28656031"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.0067"
                           xFract="-0.00079384"
                           y3="6.32838"
                           yFract="0.74980806"
                           z3="4.27049"
                           zFract="0.19219127"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00814"
                           xFract="0.00096445"
                           y3="6.33658"
                           yFract="0.75077962"
                           z3="8.40834"
                           zFract="0.37841314"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21489"
                           xFract="0.49939455"
                           y3="-0.00281"
                           yFract="-0.00033294"
                           z3="6.36831"
                           zFract="0.28660261"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="0.00051"
                           xFract="0.00006043"
                           y3="2.13071"
                           yFract="0.25245379"
                           z3="4.22001"
                           zFract="0.18991944"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.1398"
                           xFract="-0.01656398"
                           y3="2.17325"
                           yFract="0.25749408"
                           z3="8.4102"
                           zFract="0.37849685"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08341"
                           xFract="0.24684953"
                           y3="4.19772"
                           yFract="0.49736019"
                           z3="4.21167"
                           zFract="0.1895441"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34405"
                           xFract="0.75166469"
                           y3="0.01052"
                           yFract="0.00124645"
                           z3="4.23102"
                           zFract="0.19041494"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08664"
                           xFract="0.24723223"
                           y3="4.34525"
                           yFract="0.51484005"
                           z3="8.55192"
                           zFract="0.38487489"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.30652"
                           xFract="0.74721801"
                           y3="2.09797"
                           yFract="0.24857464"
                           z3="6.39559"
                           zFract="0.28783033"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09506"
                           xFract="0.24822986"
                           y3="-0.00797"
                           yFract="-0.00094431"
                           z3="4.22617"
                           zFract="0.19019667"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2628"
                           xFract="0.50507109"
                           y3="6.30029"
                           yFract="0.74647986"
                           z3="8.46635"
                           zFract="0.38102385"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32413"
                           xFract="0.7493045"
                           y3="6.34133"
                           yFract="0.75134242"
                           z3="6.3720"
                           zFract="0.28676868"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33225"
                           xFract="0.75026659"
                           y3="4.19404"
                           yFract="0.49692417"
                           z3="4.26774"
                           zFract="0.19206751"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33056"
                           xFract="0.75006635"
                           y3="0.0169"
                           yFract="0.00200237"
                           z3="8.51993"
                           zFract="0.38343519"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.27919"
                           xFract="0.50701303"
                           y3="2.16955"
                           yFract="0.25705569"
                           z3="8.46893"
                           zFract="0.38113996"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08538"
                           xFract="0.01011611"
                           y3="2.11843"
                           yFract="0.25099882"
                           z3="6.26382"
                           zFract="0.28190009"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97505"
                           xFract="0.23401066"
                           y3="0.00629"
                           yFract="0.00074526"
                           z3="6.38942"
                           zFract="0.28755266"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0301"
                           xFract="0.00356635"
                           y3="-0.06157"
                           yFract="-0.00729502"
                           z3="4.26243"
                           zFract="0.19182853"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11327"
                           xFract="0.01342062"
                           y3="0.08891"
                           yFract="0.01053436"
                           z3="8.43416"
                           zFract="0.37957516"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18536"
                           xFract="0.25892891"
                           y3="2.1051"
                           yFract="0.24941943"
                           z3="4.2071"
                           zFract="0.18933843"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31455"
                           xFract="0.27423578"
                           y3="1.92028"
                           yFract="0.22752133"
                           z3="8.81632"
                           zFract="0.39677408"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.08392"
                           xFract="0.48387678"
                           y3="2.15087"
                           yFract="0.25484242"
                           z3="6.3744"
                           zFract="0.28687669"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50418"
                           xFract="0.77063744"
                           y3="0.01223"
                           yFract="0.00144905"
                           z3="6.42987"
                           zFract="0.28937309"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.18662"
                           xFract="0.49604502"
                           y3="-0.00812"
                           yFract="-0.00096209"
                           z3="4.28054"
                           zFract="0.19264356"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13373"
                           xFract="0.48977844"
                           y3="-0.12043"
                           yFract="-0.01426896"
                           z3="8.4350"
                           zFract="0.37961296"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26161"
                           xFract="0.74189692"
                           y3="2.05994"
                           yFract="0.24406872"
                           z3="4.23774"
                           zFract="0.19071737"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.2046"
                           xFract="0.73514218"
                           y3="2.08382"
                           yFract="0.2468981"
                           z3="8.6956"
                           zFract="0.39134113"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01326"
                           xFract="0.00157109"
                           y3="6.32345"
                           yFract="0.74922393"
                           z3="6.3660"
                           zFract="0.28649865"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0985"
                           xFract="0.24863744"
                           y3="4.21115"
                           yFract="0.49895142"
                           z3="6.27631"
                           zFract="0.2824622"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.10558"
                           xFract="-0.01250948"
                           y3="4.29036"
                           yFract="0.50833649"
                           z3="4.31906"
                           zFract="0.19437714"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05492"
                           xFract="0.00650711"
                           y3="4.20609"
                           yFract="0.4983519"
                           z3="8.47942"
                           zFract="0.38161206"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11265"
                           xFract="0.25031398"
                           y3="6.31094"
                           yFract="0.74774171"
                           z3="4.20508"
                           zFract="0.18924752"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04297"
                           xFract="0.24205806"
                           y3="6.42466"
                           yFract="0.76121564"
                           z3="8.47187"
                           zFract="0.38127228"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21513"
                           xFract="0.49942299"
                           y3="6.28036"
                           yFract="0.74411848"
                           z3="6.31164"
                           zFract="0.28405221"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31512"
                           xFract="0.74823697"
                           y3="4.21024"
                           yFract="0.4988436"
                           z3="6.4864"
                           zFract="0.29191719"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.29753"
                           xFract="0.50918602"
                           y3="4.21925"
                           yFract="0.49991114"
                           z3="4.23677"
                           zFract="0.19067372"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14853"
                           xFract="0.49153199"
                           y3="4.2951"
                           yFract="0.5088981"
                           z3="8.51289"
                           zFract="0.38311836"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32135"
                           xFract="0.74897512"
                           y3="6.37808"
                           yFract="0.75569668"
                           z3="4.21011"
                           zFract="0.1894739"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41212"
                           xFract="0.75972986"
                           y3="6.34631"
                           yFract="0.75193246"
                           z3="8.59519"
                           zFract="0.38682223"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a18 a25" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="H"
                           id="a1"
                           x3="2.01288"
                           xFract="0.23849289"
                           y3="2.11257"
                           yFract="0.2503045"
                           z3="9.74103"
                           zFract="0.43839019"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35838"
                           xFract="0.75336256"
                           y3="4.21229"
                           yFract="0.49908649"
                           z3="8.52645"
                           zFract="0.38372862"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13454"
                           xFract="0.25290758"
                           y3="-0.08583"
                           yFract="-0.01016943"
                           z3="8.5223"
                           zFract="0.38354185"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02516"
                           xFract="0.00298104"
                           y3="0.02349"
                           yFract="0.00278318"
                           z3="6.39242"
                           zFract="0.28768767"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11001"
                           xFract="0.25000118"
                           y3="6.31411"
                           yFract="0.7481173"
                           z3="6.35229"
                           zFract="0.28588164"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08623"
                           xFract="0.24718365"
                           y3="2.11232"
                           yFract="0.25027488"
                           z3="6.27023"
                           zFract="0.28218857"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.22002"
                           xFract="0.50000237"
                           y3="6.32262"
                           yFract="0.74912559"
                           z3="4.25907"
                           zFract="0.19167732"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22896"
                           xFract="0.50106161"
                           y3="2.10641"
                           yFract="0.24957464"
                           z3="4.23528"
                           zFract="0.19060666"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18324"
                           xFract="0.49564455"
                           y3="4.22032"
                           yFract="0.50003791"
                           z3="6.38791"
                           zFract="0.2874847"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00735"
                           xFract="0.00087085"
                           y3="4.19669"
                           yFract="0.49723815"
                           z3="6.36881"
                           zFract="0.28662511"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00563"
                           xFract="-0.00066706"
                           y3="6.32891"
                           yFract="0.74987085"
                           z3="4.27375"
                           zFract="0.19233798"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00809"
                           xFract="0.00095853"
                           y3="6.33809"
                           yFract="0.75095853"
                           z3="8.41197"
                           zFract="0.37857651"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21283"
                           xFract="0.49915047"
                           y3="-0.00398"
                           yFract="-0.00047156"
                           z3="6.36992"
                           zFract="0.28667507"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00172"
                           xFract="-0.00020379"
                           y3="2.13078"
                           yFract="0.25246209"
                           z3="4.22371"
                           zFract="0.19008596"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.13608"
                           xFract="-0.01612322"
                           y3="2.17181"
                           yFract="0.25732346"
                           z3="8.41254"
                           zFract="0.37860216"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08371"
                           xFract="0.24688507"
                           y3="4.19876"
                           yFract="0.49748341"
                           z3="4.20961"
                           zFract="0.1894514"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34337"
                           xFract="0.75158412"
                           y3="0.01065"
                           yFract="0.00126185"
                           z3="4.22945"
                           zFract="0.19034428"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08427"
                           xFract="0.24695142"
                           y3="4.34624"
                           yFract="0.51495735"
                           z3="8.5526"
                           zFract="0.38490549"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.30438"
                           xFract="0.74696445"
                           y3="2.10032"
                           yFract="0.24885308"
                           z3="6.39792"
                           zFract="0.28793519"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09461"
                           xFract="0.24817654"
                           y3="-0.00661"
                           yFract="-0.00078318"
                           z3="4.22456"
                           zFract="0.19012421"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.26159"
                           xFract="0.50492773"
                           y3="6.29935"
                           yFract="0.74636848"
                           z3="8.46774"
                           zFract="0.38108641"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32312"
                           xFract="0.74918483"
                           y3="6.3412"
                           yFract="0.75132701"
                           z3="6.37262"
                           zFract="0.28679658"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33139"
                           xFract="0.75016469"
                           y3="4.1937"
                           yFract="0.49688389"
                           z3="4.26893"
                           zFract="0.19212106"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3284"
                           xFract="0.74981043"
                           y3="0.01989"
                           yFract="0.00235664"
                           z3="8.52299"
                           zFract="0.38357291"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.27757"
                           xFract="0.50682109"
                           y3="2.17256"
                           yFract="0.25741232"
                           z3="8.47952"
                           zFract="0.38161656"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08596"
                           xFract="0.01018483"
                           y3="2.11888"
                           yFract="0.25105213"
                           z3="6.27221"
                           zFract="0.28227768"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97585"
                           xFract="0.23410545"
                           y3="0.00591"
                           yFract="0.00070024"
                           z3="6.38825"
                           zFract="0.2875"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.03466"
                           xFract="0.00410664"
                           y3="-0.05905"
                           yFract="-0.00699645"
                           z3="4.26657"
                           zFract="0.19201485"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11397"
                           xFract="0.01350355"
                           y3="0.08682"
                           yFract="0.01028673"
                           z3="8.43486"
                           zFract="0.37960666"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18503"
                           xFract="0.25888981"
                           y3="2.11355"
                           yFract="0.25042062"
                           z3="4.20599"
                           zFract="0.18928848"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.3133"
                           xFract="0.27408768"
                           y3="1.91677"
                           yFract="0.22710545"
                           z3="8.8255"
                           zFract="0.39718722"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.08484"
                           xFract="0.48398578"
                           y3="2.15222"
                           yFract="0.25500237"
                           z3="6.37792"
                           zFract="0.2870351"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50018"
                           xFract="0.77016351"
                           y3="0.01392"
                           yFract="0.00164929"
                           z3="6.43119"
                           zFract="0.28943249"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.18072"
                           xFract="0.49534597"
                           y3="-0.01058"
                           yFract="-0.00125355"
                           z3="4.27902"
                           zFract="0.19257516"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13128"
                           xFract="0.48948815"
                           y3="-0.12268"
                           yFract="-0.01453555"
                           z3="8.43838"
                           zFract="0.37976508"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26093"
                           xFract="0.74181635"
                           y3="2.05257"
                           yFract="0.2431955"
                           z3="4.23796"
                           zFract="0.19072727"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20972"
                           xFract="0.73574882"
                           y3="2.08183"
                           yFract="0.24666232"
                           z3="8.71396"
                           zFract="0.39216742"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01267"
                           xFract="0.00150118"
                           y3="6.32613"
                           yFract="0.74954147"
                           z3="6.36577"
                           zFract="0.2864883"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0997"
                           xFract="0.24877962"
                           y3="4.21024"
                           yFract="0.4988436"
                           z3="6.27812"
                           zFract="0.28254365"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.10917"
                           xFract="-0.01293483"
                           y3="4.28768"
                           yFract="0.50801896"
                           z3="4.32132"
                           zFract="0.19447885"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04967"
                           xFract="0.00588507"
                           y3="4.20758"
                           yFract="0.49852844"
                           z3="8.47913"
                           zFract="0.38159901"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1143"
                           xFract="0.25050948"
                           y3="6.30517"
                           yFract="0.74705806"
                           z3="4.2040"
                           zFract="0.18919892"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04253"
                           xFract="0.24200592"
                           y3="6.42714"
                           yFract="0.76150948"
                           z3="8.47137"
                           zFract="0.38124977"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2166"
                           xFract="0.49959716"
                           y3="6.27808"
                           yFract="0.74384834"
                           z3="6.31265"
                           zFract="0.28409766"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31666"
                           xFract="0.74841943"
                           y3="4.21023"
                           yFract="0.49884242"
                           z3="6.4879"
                           zFract="0.2919847"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30163"
                           xFract="0.5096718"
                           y3="4.21923"
                           yFract="0.49990877"
                           z3="4.23772"
                           zFract="0.19071647"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14525"
                           xFract="0.49114336"
                           y3="4.2956"
                           yFract="0.50895735"
                           z3="8.5160"
                           zFract="0.38325833"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32099"
                           xFract="0.74893246"
                           y3="6.3836"
                           yFract="0.75635071"
                           z3="4.21264"
                           zFract="0.18958776"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41145"
                           xFract="0.75965047"
                           y3="6.34858"
                           yFract="0.75220142"
                           z3="8.59665"
                           zFract="0.38688794"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.35">
                  <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="H"
                           id="a1"
                           x3="2.01777"
                           xFract="0.23907227"
                           y3="2.10308"
                           yFract="0.24918009"
                           z3="9.75769"
                           zFract="0.43913996"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35884"
                           xFract="0.75341706"
                           y3="4.20925"
                           yFract="0.4987263"
                           z3="8.53457"
                           zFract="0.38409406"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13748"
                           xFract="0.25325592"
                           y3="-0.08794"
                           yFract="-0.01041943"
                           z3="8.53041"
                           zFract="0.38390684"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0238"
                           xFract="0.00281991"
                           y3="0.02217"
                           yFract="0.00262678"
                           z3="6.39858"
                           zFract="0.2879649"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11067"
                           xFract="0.25007938"
                           y3="6.31858"
                           yFract="0.74864692"
                           z3="6.35278"
                           zFract="0.28590369"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09266"
                           xFract="0.2479455"
                           y3="2.11403"
                           yFract="0.25047749"
                           z3="6.2808"
                           zFract="0.28266427"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2196"
                           xFract="0.49995261"
                           y3="6.32094"
                           yFract="0.74892654"
                           z3="4.26256"
                           zFract="0.19183438"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22846"
                           xFract="0.50100237"
                           y3="2.10574"
                           yFract="0.24949526"
                           z3="4.23507"
                           zFract="0.19059721"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18318"
                           xFract="0.49563744"
                           y3="4.22058"
                           yFract="0.50006872"
                           z3="6.39856"
                           zFract="0.287964"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00673"
                           xFract="0.00079739"
                           y3="4.19819"
                           yFract="0.49741588"
                           z3="6.37168"
                           zFract="0.28675428"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00351"
                           xFract="-0.00041588"
                           y3="6.32998"
                           yFract="0.74999763"
                           z3="4.28028"
                           zFract="0.19263186"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00798"
                           xFract="0.0009455"
                           y3="6.34111"
                           yFract="0.75131635"
                           z3="8.41923"
                           zFract="0.37890324"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2087"
                           xFract="0.49866114"
                           y3="-0.00634"
                           yFract="-0.00075118"
                           z3="6.37313"
                           zFract="0.28681953"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00619"
                           xFract="-0.00073341"
                           y3="2.1309"
                           yFract="0.2524763"
                           z3="4.23111"
                           zFract="0.19041899"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.12864"
                           xFract="-0.01524171"
                           y3="2.16893"
                           yFract="0.25698223"
                           z3="8.41721"
                           zFract="0.37881233"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.0843"
                           xFract="0.24695498"
                           y3="4.20085"
                           yFract="0.49773104"
                           z3="4.20549"
                           zFract="0.18926598"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34199"
                           xFract="0.75142062"
                           y3="0.01089"
                           yFract="0.00129028"
                           z3="4.22631"
                           zFract="0.19020297"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07952"
                           xFract="0.24638863"
                           y3="4.34821"
                           yFract="0.51519076"
                           z3="8.55395"
                           zFract="0.38496625"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.30011"
                           xFract="0.74645853"
                           y3="2.10502"
                           yFract="0.24940995"
                           z3="6.4026"
                           zFract="0.28814581"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09373"
                           xFract="0.24807227"
                           y3="-0.0039"
                           yFract="-0.00046209"
                           z3="4.22135"
                           zFract="0.18997975"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25919"
                           xFract="0.50464336"
                           y3="6.29746"
                           yFract="0.74614455"
                           z3="8.47051"
                           zFract="0.38121107"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32111"
                           xFract="0.74894668"
                           y3="6.34093"
                           yFract="0.75129502"
                           z3="6.37386"
                           zFract="0.28685239"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.32968"
                           xFract="0.74996209"
                           y3="4.19303"
                           yFract="0.4968045"
                           z3="4.27131"
                           zFract="0.19222817"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32409"
                           xFract="0.74929976"
                           y3="0.02588"
                           yFract="0.00306635"
                           z3="8.52911"
                           zFract="0.38384833"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.27432"
                           xFract="0.50643602"
                           y3="2.17858"
                           yFract="0.25812559"
                           z3="8.50071"
                           zFract="0.38257021"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08713"
                           xFract="0.01032346"
                           y3="2.11978"
                           yFract="0.25115877"
                           z3="6.2890"
                           zFract="0.2830333"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97745"
                           xFract="0.23429502"
                           y3="0.00514"
                           yFract="0.000609"
                           z3="6.38592"
                           zFract="0.28739514"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.04377"
                           xFract="0.00518602"
                           y3="-0.05401"
                           yFract="-0.00639929"
                           z3="4.27486"
                           zFract="0.19238794"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11538"
                           xFract="0.01367062"
                           y3="0.08262"
                           yFract="0.0097891"
                           z3="8.43626"
                           zFract="0.37966967"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18437"
                           xFract="0.25881161"
                           y3="2.13047"
                           yFract="0.25242536"
                           z3="4.20377"
                           zFract="0.18918857"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.3108"
                           xFract="0.27379147"
                           y3="1.90974"
                           yFract="0.22627251"
                           z3="8.84387"
                           zFract="0.39801395"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.08669"
                           xFract="0.48420498"
                           y3="2.15494"
                           yFract="0.25532464"
                           z3="6.38496"
                           zFract="0.28735194"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.4922"
                           xFract="0.76921801"
                           y3="0.01731"
                           yFract="0.00205095"
                           z3="6.43383"
                           zFract="0.28955131"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.16891"
                           xFract="0.49394668"
                           y3="-0.01551"
                           yFract="-0.00183768"
                           z3="4.27598"
                           zFract="0.19243834"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.1264"
                           xFract="0.48890995"
                           y3="-0.12717"
                           yFract="-0.01506754"
                           z3="8.44515"
                           zFract="0.38006976"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25958"
                           xFract="0.7416564"
                           y3="2.03783"
                           yFract="0.24144905"
                           z3="4.23839"
                           zFract="0.19074662"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.21996"
                           xFract="0.73696209"
                           y3="2.07785"
                           yFract="0.24619076"
                           z3="8.75068"
                           zFract="0.39381998"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01147"
                           xFract="0.001359"
                           y3="6.33149"
                           yFract="0.75017654"
                           z3="6.3653"
                           zFract="0.28646715"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10208"
                           xFract="0.24906161"
                           y3="4.20842"
                           yFract="0.49862796"
                           z3="6.28175"
                           zFract="0.28270702"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.11636"
                           xFract="-0.01378673"
                           y3="4.28232"
                           yFract="0.50738389"
                           z3="4.32585"
                           zFract="0.19468272"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03917"
                           xFract="0.004641"
                           y3="4.21056"
                           yFract="0.49888152"
                           z3="8.47857"
                           zFract="0.38157381"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1176"
                           xFract="0.25090047"
                           y3="6.29365"
                           yFract="0.74569313"
                           z3="4.20184"
                           zFract="0.18910171"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04165"
                           xFract="0.24190166"
                           y3="6.4321"
                           yFract="0.76209716"
                           z3="8.47035"
                           zFract="0.38120387"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21954"
                           xFract="0.4999455"
                           y3="6.27354"
                           yFract="0.74331043"
                           z3="6.31466"
                           zFract="0.28418812"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31974"
                           xFract="0.74878436"
                           y3="4.21019"
                           yFract="0.49883768"
                           z3="6.4909"
                           zFract="0.29211971"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30982"
                           xFract="0.51064218"
                           y3="4.21918"
                           yFract="0.49990284"
                           z3="4.23963"
                           zFract="0.19080243"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1387"
                           xFract="0.4903673"
                           y3="4.29661"
                           yFract="0.50907701"
                           z3="8.52222"
                           zFract="0.38353825"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32026"
                           xFract="0.74884597"
                           y3="6.39463"
                           yFract="0.75765758"
                           z3="4.21771"
                           zFract="0.18981593"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41011"
                           xFract="0.75949171"
                           y3="6.35312"
                           yFract="0.75273934"
                           z3="8.59958"
                           zFract="0.3870198"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a20 a29" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.36">
                  <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="H"
                           id="a1"
                           x3="2.01609"
                           xFract="0.23887322"
                           y3="2.10634"
                           yFract="0.24956635"
                           z3="9.75196"
                           zFract="0.43888209"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35868"
                           xFract="0.7533981"
                           y3="4.2103"
                           yFract="0.49885071"
                           z3="8.53178"
                           zFract="0.3839685"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13647"
                           xFract="0.25313626"
                           y3="-0.08721"
                           yFract="-0.01033294"
                           z3="8.52763"
                           zFract="0.38378173"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02427"
                           xFract="0.00287559"
                           y3="0.02262"
                           yFract="0.00268009"
                           z3="6.39646"
                           zFract="0.28786949"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11044"
                           xFract="0.25005213"
                           y3="6.31704"
                           yFract="0.74846445"
                           z3="6.35261"
                           zFract="0.28589604"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09045"
                           xFract="0.24768365"
                           y3="2.11344"
                           yFract="0.25040758"
                           z3="6.27717"
                           zFract="0.2825009"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21974"
                           xFract="0.49996919"
                           y3="6.32152"
                           yFract="0.74899526"
                           z3="4.26136"
                           zFract="0.19178038"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22863"
                           xFract="0.50102251"
                           y3="2.10597"
                           yFract="0.24952251"
                           z3="4.23514"
                           zFract="0.19060036"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.1832"
                           xFract="0.49563981"
                           y3="4.22049"
                           yFract="0.50005806"
                           z3="6.3949"
                           zFract="0.28779928"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00695"
                           xFract="0.00082346"
                           y3="4.19767"
                           yFract="0.49735427"
                           z3="6.37069"
                           zFract="0.28670972"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00424"
                           xFract="-0.00050237"
                           y3="6.32961"
                           yFract="0.74995379"
                           z3="4.27803"
                           zFract="0.1925306"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00802"
                           xFract="0.00095024"
                           y3="6.34008"
                           yFract="0.75119431"
                           z3="8.41674"
                           zFract="0.37879118"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21012"
                           xFract="0.49882938"
                           y3="-0.00553"
                           yFract="-0.00065521"
                           z3="6.37203"
                           zFract="0.28677003"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00465"
                           xFract="-0.00055095"
                           y3="2.13086"
                           yFract="0.25247156"
                           z3="4.22856"
                           zFract="0.19030423"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.1312"
                           xFract="-0.01554502"
                           y3="2.16992"
                           yFract="0.25709953"
                           z3="8.4156"
                           zFract="0.37873987"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.0841"
                           xFract="0.24693128"
                           y3="4.20013"
                           yFract="0.49764573"
                           z3="4.20691"
                           zFract="0.18932988"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34246"
                           xFract="0.7514763"
                           y3="0.01081"
                           yFract="0.00128081"
                           z3="4.22739"
                           zFract="0.19025158"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08115"
                           xFract="0.24658175"
                           y3="4.34753"
                           yFract="0.51511019"
                           z3="8.55349"
                           zFract="0.38494554"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.30158"
                           xFract="0.7466327"
                           y3="2.1034"
                           yFract="0.24921801"
                           z3="6.40099"
                           zFract="0.28807336"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09403"
                           xFract="0.24810782"
                           y3="-0.00483"
                           yFract="-0.00057227"
                           z3="4.22245"
                           zFract="0.19002925"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.26001"
                           xFract="0.50474052"
                           y3="6.29811"
                           yFract="0.74622156"
                           z3="8.46956"
                           zFract="0.38116832"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.3218"
                           xFract="0.74902844"
                           y3="6.34102"
                           yFract="0.75130569"
                           z3="6.37343"
                           zFract="0.28683303"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33027"
                           xFract="0.75003199"
                           y3="4.19326"
                           yFract="0.49683175"
                           z3="4.27049"
                           zFract="0.19219127"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32557"
                           xFract="0.74947512"
                           y3="0.02382"
                           yFract="0.00282227"
                           z3="8.52701"
                           zFract="0.38375383"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.27544"
                           xFract="0.50656872"
                           y3="2.17651"
                           yFract="0.25788033"
                           z3="8.49343"
                           zFract="0.38224257"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08673"
                           xFract="0.01027607"
                           y3="2.11947"
                           yFract="0.25112204"
                           z3="6.28323"
                           zFract="0.28277363"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.9769"
                           xFract="0.23422986"
                           y3="0.00541"
                           yFract="0.000641"
                           z3="6.38672"
                           zFract="0.28743114"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.04064"
                           xFract="0.00481517"
                           y3="-0.05574"
                           yFract="-0.00660427"
                           z3="4.27201"
                           zFract="0.19225968"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11489"
                           xFract="0.01361256"
                           y3="0.08407"
                           yFract="0.0099609"
                           z3="8.43578"
                           zFract="0.37964806"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1846"
                           xFract="0.25883886"
                           y3="2.12465"
                           yFract="0.25173578"
                           z3="4.20453"
                           zFract="0.18922277"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31166"
                           xFract="0.27389336"
                           y3="1.91215"
                           yFract="0.22655806"
                           z3="8.83755"
                           zFract="0.39772952"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.08605"
                           xFract="0.48412915"
                           y3="2.1540"
                           yFract="0.25521327"
                           z3="6.38254"
                           zFract="0.28724302"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49495"
                           xFract="0.76954384"
                           y3="0.01614"
                           yFract="0.00191232"
                           z3="6.43292"
                           zFract="0.28951035"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.17297"
                           xFract="0.49442773"
                           y3="-0.01381"
                           yFract="-0.00163626"
                           z3="4.27703"
                           zFract="0.1924856"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12808"
                           xFract="0.489109"
                           y3="-0.12563"
                           yFract="-0.01488507"
                           z3="8.44282"
                           zFract="0.3799649"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26004"
                           xFract="0.7417109"
                           y3="2.0429"
                           yFract="0.24204976"
                           z3="4.23824"
                           zFract="0.19073987"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.21644"
                           xFract="0.73654502"
                           y3="2.07922"
                           yFract="0.24635308"
                           z3="8.73806"
                           zFract="0.39325203"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01188"
                           xFract="0.00140758"
                           y3="6.32964"
                           yFract="0.74995735"
                           z3="6.36546"
                           zFract="0.28647435"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10126"
                           xFract="0.24896445"
                           y3="4.20905"
                           yFract="0.49870261"
                           z3="6.2805"
                           zFract="0.28265077"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.11389"
                           xFract="-0.01349408"
                           y3="4.28417"
                           yFract="0.50760308"
                           z3="4.32429"
                           zFract="0.19461251"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04278"
                           xFract="0.00506872"
                           y3="4.20953"
                           yFract="0.49875948"
                           z3="8.47876"
                           zFract="0.38158236"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11646"
                           xFract="0.2507654"
                           y3="6.29761"
                           yFract="0.74616232"
                           z3="4.20259"
                           zFract="0.18913546"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04196"
                           xFract="0.24193839"
                           y3="6.43039"
                           yFract="0.76189455"
                           z3="8.4707"
                           zFract="0.38121962"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21853"
                           xFract="0.49982583"
                           y3="6.2751"
                           yFract="0.74349526"
                           z3="6.31397"
                           zFract="0.28415707"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31868"
                           xFract="0.74865877"
                           y3="4.2102"
                           yFract="0.49883886"
                           z3="6.48987"
                           zFract="0.29207336"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3070"
                           xFract="0.51030806"
                           y3="4.2192"
                           yFract="0.49990521"
                           z3="4.23897"
                           zFract="0.19077273"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14095"
                           xFract="0.49063389"
                           y3="4.29626"
                           yFract="0.50903555"
                           z3="8.52008"
                           zFract="0.38344194"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32051"
                           xFract="0.74887559"
                           y3="6.39084"
                           yFract="0.75720853"
                           z3="4.21597"
                           zFract="0.18973762"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41057"
                           xFract="0.75954621"
                           y3="6.35156"
                           yFract="0.7525545"
                           z3="8.59857"
                           zFract="0.38697435"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a20 a29" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.37">
                  <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="H"
                           id="a1"
                           x3="2.01786"
                           xFract="0.23908294"
                           y3="2.10411"
                           yFract="0.24930213"
                           z3="9.75167"
                           zFract="0.43886904"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35834"
                           xFract="0.75335782"
                           y3="4.20977"
                           yFract="0.49878791"
                           z3="8.53234"
                           zFract="0.3839937"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13556"
                           xFract="0.25302844"
                           y3="-0.0860"
                           yFract="-0.01018957"
                           z3="8.52893"
                           zFract="0.38384023"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02374"
                           xFract="0.0028128"
                           y3="0.02294"
                           yFract="0.00271801"
                           z3="6.39615"
                           zFract="0.28785554"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11018"
                           xFract="0.25002133"
                           y3="6.31707"
                           yFract="0.74846801"
                           z3="6.35278"
                           zFract="0.28590369"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08967"
                           xFract="0.24759123"
                           y3="2.11339"
                           yFract="0.25040166"
                           z3="6.2771"
                           zFract="0.28249775"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2190"
                           xFract="0.49988152"
                           y3="6.3213"
                           yFract="0.74896919"
                           z3="4.2613"
                           zFract="0.19177768"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22843"
                           xFract="0.50099882"
                           y3="2.10598"
                           yFract="0.2495237"
                           z3="4.23521"
                           zFract="0.19060351"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18349"
                           xFract="0.49567417"
                           y3="4.2202"
                           yFract="0.5000237"
                           z3="6.39527"
                           zFract="0.28781593"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00725"
                           xFract="0.000859"
                           y3="4.19752"
                           yFract="0.49733649"
                           z3="6.37136"
                           zFract="0.28673987"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00347"
                           xFract="-0.00041114"
                           y3="6.32982"
                           yFract="0.74997867"
                           z3="4.27795"
                           zFract="0.192527"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0067"
                           xFract="0.00079384"
                           y3="6.34096"
                           yFract="0.75129858"
                           z3="8.41699"
                           zFract="0.37880243"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20972"
                           xFract="0.49878199"
                           y3="-0.00557"
                           yFract="-0.00065995"
                           z3="6.37318"
                           zFract="0.28682178"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00462"
                           xFract="-0.00054739"
                           y3="2.13074"
                           yFract="0.25245735"
                           z3="4.22967"
                           zFract="0.19035419"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.13119"
                           xFract="-0.01554384"
                           y3="2.16924"
                           yFract="0.25701896"
                           z3="8.41663"
                           zFract="0.37878623"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08448"
                           xFract="0.2469763"
                           y3="4.2002"
                           yFract="0.49765403"
                           z3="4.20742"
                           zFract="0.18935284"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3421"
                           xFract="0.75143365"
                           y3="0.01128"
                           yFract="0.00133649"
                           z3="4.22795"
                           zFract="0.19027678"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08021"
                           xFract="0.24647038"
                           y3="4.34761"
                           yFract="0.51511967"
                           z3="8.55375"
                           zFract="0.38495725"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3020"
                           xFract="0.74668246"
                           y3="2.10383"
                           yFract="0.24926896"
                           z3="6.40152"
                           zFract="0.28809721"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09424"
                           xFract="0.2481327"
                           y3="-0.00425"
                           yFract="-0.00050355"
                           z3="4.22246"
                           zFract="0.1900297"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.26019"
                           xFract="0.50476185"
                           y3="6.29787"
                           yFract="0.74619313"
                           z3="8.4704"
                           zFract="0.38120612"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32148"
                           xFract="0.74899052"
                           y3="6.3416"
                           yFract="0.75137441"
                           z3="6.37389"
                           zFract="0.28685374"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.32999"
                           xFract="0.74999882"
                           y3="4.19239"
                           yFract="0.49672867"
                           z3="4.27086"
                           zFract="0.19220792"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32464"
                           xFract="0.74936493"
                           y3="0.02462"
                           yFract="0.00291706"
                           z3="8.52799"
                           zFract="0.38379793"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.27852"
                           xFract="0.50693365"
                           y3="2.17681"
                           yFract="0.25791588"
                           z3="8.49537"
                           zFract="0.38232988"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08647"
                           xFract="0.01024526"
                           y3="2.11858"
                           yFract="0.25101659"
                           z3="6.28488"
                           zFract="0.28284788"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.9772"
                           xFract="0.2342654"
                           y3="0.00557"
                           yFract="0.00065995"
                           z3="6.38681"
                           zFract="0.28743519"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.04169"
                           xFract="0.00493957"
                           y3="-0.05476"
                           yFract="-0.00648815"
                           z3="4.27279"
                           zFract="0.19229478"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11608"
                           xFract="0.01375355"
                           y3="0.08313"
                           yFract="0.00984953"
                           z3="8.43615"
                           zFract="0.37966472"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18429"
                           xFract="0.25880213"
                           y3="2.12674"
                           yFract="0.25198341"
                           z3="4.20541"
                           zFract="0.18926238"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30978"
                           xFract="0.27367062"
                           y3="1.91223"
                           yFract="0.22656754"
                           z3="8.84143"
                           zFract="0.39790414"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.08771"
                           xFract="0.48432583"
                           y3="2.15438"
                           yFract="0.25525829"
                           z3="6.38349"
                           zFract="0.28728578"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49459"
                           xFract="0.76950118"
                           y3="0.01713"
                           yFract="0.00202962"
                           z3="6.4325"
                           zFract="0.28949145"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.1710"
                           xFract="0.49419431"
                           y3="-0.01358"
                           yFract="-0.001609"
                           z3="4.2776"
                           zFract="0.19251125"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12782"
                           xFract="0.4890782"
                           y3="-0.12511"
                           yFract="-0.01482346"
                           z3="8.4442"
                           zFract="0.380027"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25974"
                           xFract="0.74167536"
                           y3="2.0414"
                           yFract="0.24187204"
                           z3="4.23727"
                           zFract="0.19069622"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.21517"
                           xFract="0.73639455"
                           y3="2.07898"
                           yFract="0.24632464"
                           z3="8.74274"
                           zFract="0.39346265"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0120"
                           xFract="0.0014218"
                           y3="6.32967"
                           yFract="0.7499609"
                           z3="6.36604"
                           zFract="0.28650045"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10101"
                           xFract="0.24893483"
                           y3="4.2097"
                           yFract="0.49877962"
                           z3="6.28067"
                           zFract="0.28265842"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.1148"
                           xFract="-0.0136019"
                           y3="4.2839"
                           yFract="0.50757109"
                           z3="4.32454"
                           zFract="0.19462376"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04273"
                           xFract="0.0050628"
                           y3="4.21022"
                           yFract="0.49884123"
                           z3="8.47899"
                           zFract="0.38159271"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11591"
                           xFract="0.25070024"
                           y3="6.29567"
                           yFract="0.74593246"
                           z3="4.20281"
                           zFract="0.18914536"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04268"
                           xFract="0.2420237"
                           y3="6.42955"
                           yFract="0.76179502"
                           z3="8.47037"
                           zFract="0.38120477"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21798"
                           xFract="0.49976066"
                           y3="6.27499"
                           yFract="0.74348223"
                           z3="6.3142"
                           zFract="0.28416742"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31835"
                           xFract="0.74861967"
                           y3="4.20968"
                           yFract="0.49877725"
                           z3="6.49118"
                           zFract="0.29213231"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30883"
                           xFract="0.51052488"
                           y3="4.2192"
                           yFract="0.49990521"
                           z3="4.23891"
                           zFract="0.19077003"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1407"
                           xFract="0.49060427"
                           y3="4.29557"
                           yFract="0.50895379"
                           z3="8.52126"
                           zFract="0.38349505"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32097"
                           xFract="0.74893009"
                           y3="6.39184"
                           yFract="0.75732701"
                           z3="4.21515"
                           zFract="0.18970072"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.41008"
                           xFract="0.75948815"
                           y3="6.3520"
                           yFract="0.75260664"
                           z3="8.59853"
                           zFract="0.38697255"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a20 a29" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.38">
                  <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="H"
                           id="a1"
                           x3="2.02099"
                           xFract="0.23945379"
                           y3="2.10019"
                           yFract="0.24883768"
                           z3="9.75116"
                           zFract="0.43884608"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35774"
                           xFract="0.75328673"
                           y3="4.20884"
                           yFract="0.49867773"
                           z3="8.53331"
                           zFract="0.38403735"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13396"
                           xFract="0.25283886"
                           y3="-0.08386"
                           yFract="-0.00993602"
                           z3="8.53124"
                           zFract="0.38394419"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02282"
                           xFract="0.00270379"
                           y3="0.02348"
                           yFract="0.00278199"
                           z3="6.3956"
                           zFract="0.28783078"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10971"
                           xFract="0.24996564"
                           y3="6.31711"
                           yFract="0.74847275"
                           z3="6.35308"
                           zFract="0.28591719"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.0883"
                           xFract="0.24742891"
                           y3="2.11329"
                           yFract="0.25038981"
                           z3="6.27698"
                           zFract="0.28249235"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21768"
                           xFract="0.49972512"
                           y3="6.32091"
                           yFract="0.74892299"
                           z3="4.26119"
                           zFract="0.19177273"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22808"
                           xFract="0.50095735"
                           y3="2.1060"
                           yFract="0.24952607"
                           z3="4.23534"
                           zFract="0.19060936"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18399"
                           xFract="0.49573341"
                           y3="4.21968"
                           yFract="0.49996209"
                           z3="6.39594"
                           zFract="0.28784608"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00777"
                           xFract="0.00092062"
                           y3="4.19724"
                           yFract="0.49730332"
                           z3="6.37254"
                           zFract="0.28679298"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00212"
                           xFract="-0.00025118"
                           y3="6.33018"
                           yFract="0.75002133"
                           z3="4.2778"
                           zFract="0.19252025"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00437"
                           xFract="0.00051777"
                           y3="6.34252"
                           yFract="0.75148341"
                           z3="8.41745"
                           zFract="0.37882313"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20903"
                           xFract="0.49870024"
                           y3="-0.00564"
                           yFract="-0.00066825"
                           z3="6.3752"
                           zFract="0.28691269"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00458"
                           xFract="-0.00054265"
                           y3="2.13053"
                           yFract="0.25243246"
                           z3="4.23162"
                           zFract="0.19044194"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.13116"
                           xFract="-0.01554028"
                           y3="2.16802"
                           yFract="0.25687441"
                           z3="8.41844"
                           zFract="0.37886769"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08516"
                           xFract="0.24705687"
                           y3="4.20033"
                           yFract="0.49766943"
                           z3="4.20834"
                           zFract="0.18939424"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34146"
                           xFract="0.75135782"
                           y3="0.01212"
                           yFract="0.00143602"
                           z3="4.22893"
                           zFract="0.19032088"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07856"
                           xFract="0.24627488"
                           y3="4.34776"
                           yFract="0.51513744"
                           z3="8.55421"
                           zFract="0.38497795"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.30273"
                           xFract="0.74676896"
                           y3="2.10458"
                           yFract="0.24935782"
                           z3="6.40246"
                           zFract="0.28813951"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09462"
                           xFract="0.24817773"
                           y3="-0.00323"
                           yFract="-0.0003827"
                           z3="4.22246"
                           zFract="0.1900297"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.26049"
                           xFract="0.50479739"
                           y3="6.29746"
                           yFract="0.74614455"
                           z3="8.47189"
                           zFract="0.38127318"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32091"
                           xFract="0.74892299"
                           y3="6.34263"
                           yFract="0.75149645"
                           z3="6.3747"
                           zFract="0.28689019"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.32949"
                           xFract="0.74993957"
                           y3="4.19085"
                           yFract="0.49654621"
                           z3="4.27152"
                           zFract="0.19223762"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32299"
                           xFract="0.74916943"
                           y3="0.02602"
                           yFract="0.00308294"
                           z3="8.52972"
                           zFract="0.38387579"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.28396"
                           xFract="0.5075782"
                           y3="2.17733"
                           yFract="0.25797749"
                           z3="8.4988"
                           zFract="0.38248425"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08601"
                           xFract="0.01019076"
                           y3="2.11701"
                           yFract="0.25083057"
                           z3="6.28778"
                           zFract="0.2829784"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97772"
                           xFract="0.23432701"
                           y3="0.00587"
                           yFract="0.0006955"
                           z3="6.38697"
                           zFract="0.28744239"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.04355"
                           xFract="0.00515995"
                           y3="-0.05303"
                           yFract="-0.00628318"
                           z3="4.27416"
                           zFract="0.19235644"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11818"
                           xFract="0.01400237"
                           y3="0.08147"
                           yFract="0.00965284"
                           z3="8.43681"
                           zFract="0.37969442"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18375"
                           xFract="0.25873815"
                           y3="2.13042"
                           yFract="0.25241943"
                           z3="4.20694"
                           zFract="0.18933123"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30648"
                           xFract="0.27327962"
                           y3="1.91237"
                           yFract="0.22658412"
                           z3="8.84825"
                           zFract="0.39821107"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.09064"
                           xFract="0.48467299"
                           y3="2.15503"
                           yFract="0.25533531"
                           z3="6.38516"
                           zFract="0.28736094"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49395"
                           xFract="0.76942536"
                           y3="0.01886"
                           yFract="0.0022346"
                           z3="6.43175"
                           zFract="0.2894577"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.16754"
                           xFract="0.49378436"
                           y3="-0.01317"
                           yFract="-0.00156043"
                           z3="4.27861"
                           zFract="0.19255671"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12737"
                           xFract="0.48902488"
                           y3="-0.12418"
                           yFract="-0.01471327"
                           z3="8.44663"
                           zFract="0.38013636"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25921"
                           xFract="0.74161256"
                           y3="2.03876"
                           yFract="0.24155924"
                           z3="4.23556"
                           zFract="0.19061926"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.21295"
                           xFract="0.73613152"
                           y3="2.07855"
                           yFract="0.2462737"
                           z3="8.7510"
                           zFract="0.39383438"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01222"
                           xFract="0.00144787"
                           y3="6.32972"
                           yFract="0.74996682"
                           z3="6.36706"
                           zFract="0.28654635"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10057"
                           xFract="0.2488827"
                           y3="4.21086"
                           yFract="0.49891706"
                           z3="6.28098"
                           zFract="0.28267237"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.11642"
                           xFract="-0.01379384"
                           y3="4.28342"
                           yFract="0.50751422"
                           z3="4.32497"
                           zFract="0.19464311"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04265"
                           xFract="0.00505332"
                           y3="4.21143"
                           yFract="0.4989846"
                           z3="8.4794"
                           zFract="0.38161116"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11493"
                           xFract="0.25058412"
                           y3="6.29226"
                           yFract="0.74552844"
                           z3="4.2032"
                           zFract="0.18916292"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04394"
                           xFract="0.24217299"
                           y3="6.42806"
                           yFract="0.76161848"
                           z3="8.46978"
                           zFract="0.38117822"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21701"
                           xFract="0.49964573"
                           y3="6.2748"
                           yFract="0.74345972"
                           z3="6.3146"
                           zFract="0.28418542"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31777"
                           xFract="0.74855095"
                           y3="4.20876"
                           yFract="0.49866825"
                           z3="6.49349"
                           zFract="0.29223627"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31206"
                           xFract="0.51090758"
                           y3="4.2192"
                           yFract="0.49990521"
                           z3="4.23881"
                           zFract="0.19076553"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14027"
                           xFract="0.49055332"
                           y3="4.29434"
                           yFract="0.50880806"
                           z3="8.52333"
                           zFract="0.38358821"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32178"
                           xFract="0.74902607"
                           y3="6.39359"
                           yFract="0.75753436"
                           z3="4.2137"
                           zFract="0.18963546"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40923"
                           xFract="0.75938744"
                           y3="6.35279"
                           yFract="0.75270024"
                           z3="8.59846"
                           zFract="0.3869694"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.39">
                  <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="H"
                           id="a1"
                           x3="2.02143"
                           xFract="0.23950592"
                           y3="2.09936"
                           yFract="0.24873934"
                           z3="9.75254"
                           zFract="0.43890819"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35755"
                           xFract="0.75326422"
                           y3="4.20857"
                           yFract="0.49864573"
                           z3="8.53353"
                           zFract="0.38404725"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13345"
                           xFract="0.25277844"
                           y3="-0.08327"
                           yFract="-0.00986611"
                           z3="8.53185"
                           zFract="0.38397165"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02262"
                           xFract="0.00268009"
                           y3="0.02363"
                           yFract="0.00279976"
                           z3="6.39537"
                           zFract="0.28782043"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10954"
                           xFract="0.2499455"
                           y3="6.31707"
                           yFract="0.74846801"
                           z3="6.35321"
                           zFract="0.28592304"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08788"
                           xFract="0.24737915"
                           y3="2.11324"
                           yFract="0.25038389"
                           z3="6.27681"
                           zFract="0.2824847"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2173"
                           xFract="0.49968009"
                           y3="6.32082"
                           yFract="0.74891232"
                           z3="4.26111"
                           zFract="0.19176913"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22798"
                           xFract="0.5009455"
                           y3="2.10601"
                           yFract="0.24952725"
                           z3="4.2354"
                           zFract="0.19061206"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18414"
                           xFract="0.49575118"
                           y3="4.21952"
                           yFract="0.49994313"
                           z3="6.39603"
                           zFract="0.28785014"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00793"
                           xFract="0.00093957"
                           y3="4.19715"
                           yFract="0.49729265"
                           z3="6.37289"
                           zFract="0.28680873"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00176"
                           xFract="-0.00020853"
                           y3="6.33027"
                           yFract="0.75003199"
                           z3="4.27767"
                           zFract="0.1925144"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00369"
                           xFract="0.0004372"
                           y3="6.34299"
                           yFract="0.7515391"
                           z3="8.41748"
                           zFract="0.37882448"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20884"
                           xFract="0.49867773"
                           y3="-0.00562"
                           yFract="-0.00066588"
                           z3="6.37584"
                           zFract="0.28694149"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00452"
                           xFract="-0.00053555"
                           y3="2.13047"
                           yFract="0.25242536"
                           z3="4.23213"
                           zFract="0.1904649"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.1313"
                           xFract="-0.01555687"
                           y3="2.16768"
                           yFract="0.25683412"
                           z3="8.41899"
                           zFract="0.37889244"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08536"
                           xFract="0.24708057"
                           y3="4.20034"
                           yFract="0.49767062"
                           z3="4.20869"
                           zFract="0.18940999"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34126"
                           xFract="0.75133412"
                           y3="0.01235"
                           yFract="0.00146327"
                           z3="4.22928"
                           zFract="0.19033663"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07812"
                           xFract="0.24622275"
                           y3="4.34776"
                           yFract="0.51513744"
                           z3="8.55437"
                           zFract="0.38498515"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.30305"
                           xFract="0.74680687"
                           y3="2.10478"
                           yFract="0.24938152"
                           z3="6.40267"
                           zFract="0.28814896"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09474"
                           xFract="0.24819194"
                           y3="-0.00294"
                           yFract="-0.00034834"
                           z3="4.22252"
                           zFract="0.1900324"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.26059"
                           xFract="0.50480924"
                           y3="6.29736"
                           yFract="0.7461327"
                           z3="8.47235"
                           zFract="0.38129388"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32075"
                           xFract="0.74890403"
                           y3="6.34297"
                           yFract="0.75153673"
                           z3="6.37491"
                           zFract="0.28689964"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.32942"
                           xFract="0.74993128"
                           y3="4.19037"
                           yFract="0.49648934"
                           z3="4.27169"
                           zFract="0.19224527"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32251"
                           xFract="0.74911256"
                           y3="0.02639"
                           yFract="0.00312678"
                           z3="8.5302"
                           zFract="0.38389739"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.28538"
                           xFract="0.50774645"
                           y3="2.1774"
                           yFract="0.25798578"
                           z3="8.49962"
                           zFract="0.38252115"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08579"
                           xFract="0.01016469"
                           y3="2.11654"
                           yFract="0.25077488"
                           z3="6.28853"
                           zFract="0.28301215"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97786"
                           xFract="0.2343436"
                           y3="0.00599"
                           yFract="0.00070972"
                           z3="6.38707"
                           zFract="0.28744689"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.04409"
                           xFract="0.00522393"
                           y3="-0.05253"
                           yFract="-0.00622393"
                           z3="4.27448"
                           zFract="0.19237084"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11879"
                           xFract="0.01407464"
                           y3="0.08098"
                           yFract="0.00959479"
                           z3="8.43701"
                           zFract="0.37970342"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18361"
                           xFract="0.25872156"
                           y3="2.13143"
                           yFract="0.2525391"
                           z3="4.20751"
                           zFract="0.18935689"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30614"
                           xFract="0.27323934"
                           y3="1.91224"
                           yFract="0.22656872"
                           z3="8.84848"
                           zFract="0.39822142"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.09151"
                           xFract="0.48477607"
                           y3="2.15519"
                           yFract="0.25535427"
                           z3="6.38563"
                           zFract="0.28738209"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49384"
                           xFract="0.76941232"
                           y3="0.01939"
                           yFract="0.00229739"
                           z3="6.43151"
                           zFract="0.28944689"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.16652"
                           xFract="0.49366351"
                           y3="-0.01298"
                           yFract="-0.00153791"
                           z3="4.2790"
                           zFract="0.19257426"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12726"
                           xFract="0.48901185"
                           y3="-0.12379"
                           yFract="-0.01466706"
                           z3="8.44735"
                           zFract="0.38016877"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25906"
                           xFract="0.74159479"
                           y3="2.03809"
                           yFract="0.24147986"
                           z3="4.23494"
                           zFract="0.19059136"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.21231"
                           xFract="0.73605569"
                           y3="2.07844"
                           yFract="0.24626066"
                           z3="8.75335"
                           zFract="0.39394014"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01226"
                           xFract="0.00145261"
                           y3="6.32967"
                           yFract="0.7499609"
                           z3="6.36737"
                           zFract="0.28656031"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10041"
                           xFract="0.24886374"
                           y3="4.2112"
                           yFract="0.49895735"
                           z3="6.28103"
                           zFract="0.28267462"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.11691"
                           xFract="-0.0138519"
                           y3="4.28331"
                           yFract="0.50750118"
                           z3="4.32509"
                           zFract="0.19464851"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04275"
                           xFract="0.00506517"
                           y3="4.21176"
                           yFract="0.4990237"
                           z3="8.47955"
                           zFract="0.38161791"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11456"
                           xFract="0.25054028"
                           y3="6.29129"
                           yFract="0.74541351"
                           z3="4.20333"
                           zFract="0.18916877"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04434"
                           xFract="0.24222038"
                           y3="6.42758"
                           yFract="0.76156161"
                           z3="8.4696"
                           zFract="0.38117012"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21668"
                           xFract="0.49960664"
                           y3="6.2748"
                           yFract="0.74345972"
                           z3="6.31471"
                           zFract="0.28419037"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31755"
                           xFract="0.74852488"
                           y3="4.20847"
                           yFract="0.49863389"
                           z3="6.49423"
                           zFract="0.29226958"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3130"
                           xFract="0.51101896"
                           y3="4.2192"
                           yFract="0.49990521"
                           z3="4.23875"
                           zFract="0.19076283"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14021"
                           xFract="0.49054621"
                           y3="4.29393"
                           yFract="0.50875948"
                           z3="8.52392"
                           zFract="0.38361476"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32205"
                           xFract="0.74905806"
                           y3="6.39408"
                           yFract="0.75759242"
                           z3="4.21319"
                           zFract="0.18961251"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40892"
                           xFract="0.75935071"
                           y3="6.35302"
                           yFract="0.75272749"
                           z3="8.59838"
                           zFract="0.3869658"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.40">
                  <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="H"
                           id="a1"
                           x3="2.02277"
                           xFract="0.23966469"
                           y3="2.09687"
                           yFract="0.24844431"
                           z3="9.75669"
                           zFract="0.43909496"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35698"
                           xFract="0.75319668"
                           y3="4.20778"
                           yFract="0.49855213"
                           z3="8.53418"
                           zFract="0.38407651"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13191"
                           xFract="0.25259597"
                           y3="-0.08152"
                           yFract="-0.00965877"
                           z3="8.53367"
                           zFract="0.38405356"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02201"
                           xFract="0.00260782"
                           y3="0.02406"
                           yFract="0.00285071"
                           z3="6.39467"
                           zFract="0.28778893"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10904"
                           xFract="0.24988626"
                           y3="6.31696"
                           yFract="0.74845498"
                           z3="6.35359"
                           zFract="0.28594014"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08664"
                           xFract="0.24723223"
                           y3="2.11309"
                           yFract="0.25036611"
                           z3="6.27631"
                           zFract="0.2824622"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21614"
                           xFract="0.49954265"
                           y3="6.32055"
                           yFract="0.74888033"
                           z3="4.26086"
                           zFract="0.19175788"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22767"
                           xFract="0.50090877"
                           y3="2.10605"
                           yFract="0.24953199"
                           z3="4.23557"
                           zFract="0.19061971"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.1846"
                           xFract="0.49580569"
                           y3="4.21903"
                           yFract="0.49988507"
                           z3="6.3963"
                           zFract="0.28786229"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00838"
                           xFract="0.00099289"
                           y3="4.19689"
                           yFract="0.49726185"
                           z3="6.37394"
                           zFract="0.28685599"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00065"
                           xFract="-0.00007701"
                           y3="6.33055"
                           yFract="0.75006517"
                           z3="4.27727"
                           zFract="0.1924964"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00166"
                           xFract="0.00019668"
                           y3="6.3444"
                           yFract="0.75170616"
                           z3="8.41759"
                           zFract="0.37882943"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20827"
                           xFract="0.49861019"
                           y3="-0.00556"
                           yFract="-0.00065877"
                           z3="6.37775"
                           zFract="0.28702745"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00435"
                           xFract="-0.0005154"
                           y3="2.1303"
                           yFract="0.25240521"
                           z3="4.23367"
                           zFract="0.1905342"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.13171"
                           xFract="-0.01560545"
                           y3="2.16663"
                           yFract="0.25670972"
                           z3="8.42061"
                           zFract="0.37896535"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08598"
                           xFract="0.24715403"
                           y3="4.20039"
                           yFract="0.49767654"
                           z3="4.20973"
                           zFract="0.1894568"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.34065"
                           xFract="0.75126185"
                           y3="0.01303"
                           yFract="0.00154384"
                           z3="4.23032"
                           zFract="0.19038344"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.0768"
                           xFract="0.24606635"
                           y3="4.34776"
                           yFract="0.51513744"
                           z3="8.55485"
                           zFract="0.38500675"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3040"
                           xFract="0.74691943"
                           y3="2.10537"
                           yFract="0.24945142"
                           z3="6.40332"
                           zFract="0.28817822"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.0951"
                           xFract="0.2482346"
                           y3="-0.00207"
                           yFract="-0.00024526"
                           z3="4.2227"
                           zFract="0.1900405"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.26088"
                           xFract="0.5048436"
                           y3="6.29706"
                           yFract="0.74609716"
                           z3="8.47373"
                           zFract="0.38135599"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32028"
                           xFract="0.74884834"
                           y3="6.34399"
                           yFract="0.75165758"
                           z3="6.37553"
                           zFract="0.28692754"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3292"
                           xFract="0.74990521"
                           y3="4.18893"
                           yFract="0.49631872"
                           z3="4.27223"
                           zFract="0.19226958"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32105"
                           xFract="0.74893957"
                           y3="0.0275"
                           yFract="0.00325829"
                           z3="8.53162"
                           zFract="0.3839613"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.28967"
                           xFract="0.50825474"
                           y3="2.1776"
                           yFract="0.25800948"
                           z3="8.50211"
                           zFract="0.38263321"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08511"
                           xFract="0.01008412"
                           y3="2.11511"
                           yFract="0.25060545"
                           z3="6.29078"
                           zFract="0.28311341"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97828"
                           xFract="0.23439336"
                           y3="0.00637"
                           yFract="0.00075474"
                           z3="6.38739"
                           zFract="0.2874613"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.04572"
                           xFract="0.00541706"
                           y3="-0.05104"
                           yFract="-0.00604739"
                           z3="4.27545"
                           zFract="0.19241449"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.12063"
                           xFract="0.01429265"
                           y3="0.07951"
                           yFract="0.00942062"
                           z3="8.4376"
                           zFract="0.37972997"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18317"
                           xFract="0.25866943"
                           y3="2.13445"
                           yFract="0.25289692"
                           z3="4.20919"
                           zFract="0.18943249"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30511"
                           xFract="0.2731173"
                           y3="1.91186"
                           yFract="0.2265237"
                           z3="8.84915"
                           zFract="0.39825158"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.09413"
                           xFract="0.48508649"
                           y3="2.15567"
                           yFract="0.25541114"
                           z3="6.38705"
                           zFract="0.28744599"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.4935"
                           xFract="0.76937204"
                           y3="0.02098"
                           yFract="0.00248578"
                           z3="6.43079"
                           zFract="0.28941449"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.16348"
                           xFract="0.49330332"
                           y3="-0.01242"
                           yFract="-0.00147156"
                           z3="4.28018"
                           zFract="0.19262736"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12693"
                           xFract="0.48897275"
                           y3="-0.12262"
                           yFract="-0.01452844"
                           z3="8.44951"
                           zFract="0.38026598"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2586"
                           xFract="0.74154028"
                           y3="2.03609"
                           yFract="0.24124289"
                           z3="4.23306"
                           zFract="0.19050675"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.21042"
                           xFract="0.73583175"
                           y3="2.07812"
                           yFract="0.24622275"
                           z3="8.76041"
                           zFract="0.39425788"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01239"
                           xFract="0.00146801"
                           y3="6.32951"
                           yFract="0.74994194"
                           z3="6.36832"
                           zFract="0.28660306"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09992"
                           xFract="0.24880569"
                           y3="4.21223"
                           yFract="0.49907938"
                           z3="6.2812"
                           zFract="0.28268227"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.11839"
                           xFract="-0.01402725"
                           y3="4.28297"
                           yFract="0.5074609"
                           z3="4.32542"
                           zFract="0.19466337"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04304"
                           xFract="0.00509953"
                           y3="4.21275"
                           yFract="0.499141"
                           z3="8.48002"
                           zFract="0.38163906"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11345"
                           xFract="0.25040877"
                           y3="6.28836"
                           yFract="0.74506635"
                           z3="4.20372"
                           zFract="0.18918632"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04552"
                           xFract="0.24236019"
                           y3="6.42615"
                           yFract="0.76139218"
                           z3="8.46906"
                           zFract="0.38114581"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21567"
                           xFract="0.49948697"
                           y3="6.2748"
                           yFract="0.74345972"
                           z3="6.31503"
                           zFract="0.28420477"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31689"
                           xFract="0.74844668"
                           y3="4.20757"
                           yFract="0.49852725"
                           z3="6.49645"
                           zFract="0.29236949"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.31582"
                           xFract="0.51135308"
                           y3="4.21919"
                           yFract="0.49990403"
                           z3="4.23857"
                           zFract="0.19075473"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14003"
                           xFract="0.49052488"
                           y3="4.2927"
                           yFract="0.50861374"
                           z3="8.5257"
                           zFract="0.38369487"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32284"
                           xFract="0.74915166"
                           y3="6.39553"
                           yFract="0.75776422"
                           z3="4.21167"
                           zFract="0.1895441"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40802"
                           xFract="0.75924408"
                           y3="6.35372"
                           yFract="0.75281043"
                           z3="8.59815"
                           zFract="0.38695545"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a57" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.41">
                  <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="H"
                           id="a1"
                           x3="2.02544"
                           xFract="0.23998104"
                           y3="2.09189"
                           yFract="0.24785427"
                           z3="9.7650"
                           zFract="0.43946895"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35584"
                           xFract="0.75306161"
                           y3="4.20619"
                           yFract="0.49836374"
                           z3="8.53548"
                           zFract="0.38413501"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12885"
                           xFract="0.25223341"
                           y3="-0.07802"
                           yFract="-0.00924408"
                           z3="8.53732"
                           zFract="0.38421782"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02079"
                           xFract="0.00246327"
                           y3="0.02493"
                           yFract="0.00295379"
                           z3="6.39327"
                           zFract="0.28772592"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10805"
                           xFract="0.24976896"
                           y3="6.31674"
                           yFract="0.74842891"
                           z3="6.35435"
                           zFract="0.28597435"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08414"
                           xFract="0.24693602"
                           y3="2.11279"
                           yFract="0.25033057"
                           z3="6.27531"
                           zFract="0.28241719"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21383"
                           xFract="0.49926896"
                           y3="6.32002"
                           yFract="0.74881754"
                           z3="4.26038"
                           zFract="0.19173627"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22705"
                           xFract="0.50083531"
                           y3="2.10613"
                           yFract="0.24954147"
                           z3="4.23592"
                           zFract="0.19063546"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18551"
                           xFract="0.49591351"
                           y3="4.21805"
                           yFract="0.49976896"
                           z3="6.39684"
                           zFract="0.28788659"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0093"
                           xFract="0.0011019"
                           y3="4.19636"
                           yFract="0.49719905"
                           z3="6.37604"
                           zFract="0.2869505"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00155"
                           xFract="0.00018365"
                           y3="6.3311"
                           yFract="0.75013033"
                           z3="4.27647"
                           zFract="0.1924604"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.00241"
                           xFract="-0.00028555"
                           y3="6.34721"
                           yFract="0.7520391"
                           z3="8.41781"
                           zFract="0.37883933"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20712"
                           xFract="0.49847393"
                           y3="-0.00544"
                           yFract="-0.00064455"
                           z3="6.38157"
                           zFract="0.28719937"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00401"
                           xFract="-0.00047512"
                           y3="2.12994"
                           yFract="0.25236256"
                           z3="4.23674"
                           zFract="0.19067237"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.13253"
                           xFract="-0.01570261"
                           y3="2.16454"
                           yFract="0.25646209"
                           z3="8.42385"
                           zFract="0.37911116"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08722"
                           xFract="0.24730095"
                           y3="4.2005"
                           yFract="0.49768957"
                           z3="4.21182"
                           zFract="0.18955086"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33944"
                           xFract="0.75111848"
                           y3="0.01439"
                           yFract="0.00170498"
                           z3="4.2324"
                           zFract="0.19047705"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07417"
                           xFract="0.24575474"
                           y3="4.34774"
                           yFract="0.51513507"
                           z3="8.55582"
                           zFract="0.38505041"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.30591"
                           xFract="0.74714573"
                           y3="2.10654"
                           yFract="0.24959005"
                           z3="6.40462"
                           zFract="0.28823672"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09584"
                           xFract="0.24832227"
                           y3="-0.00033"
                           yFract="-0.0000391"
                           z3="4.22305"
                           zFract="0.19005626"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.26146"
                           xFract="0.50491232"
                           y3="6.29646"
                           yFract="0.74602607"
                           z3="8.4765"
                           zFract="0.38148065"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31934"
                           xFract="0.74873697"
                           y3="6.34603"
                           yFract="0.75189929"
                           z3="6.37679"
                           zFract="0.28698425"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.32875"
                           xFract="0.7498519"
                           y3="4.18605"
                           yFract="0.49597749"
                           z3="4.27331"
                           zFract="0.19231818"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31812"
                           xFract="0.74859242"
                           y3="0.02972"
                           yFract="0.00352133"
                           z3="8.53447"
                           zFract="0.38408956"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.29823"
                           xFract="0.50926896"
                           y3="2.1780"
                           yFract="0.25805687"
                           z3="8.50709"
                           zFract="0.38285734"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08376"
                           xFract="0.00992417"
                           y3="2.11226"
                           yFract="0.25026777"
                           z3="6.29528"
                           zFract="0.28331593"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97912"
                           xFract="0.23449289"
                           y3="0.00712"
                           yFract="0.0008436"
                           z3="6.38803"
                           zFract="0.2874901"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.04896"
                           xFract="0.00580095"
                           y3="-0.04805"
                           yFract="-0.00569313"
                           z3="4.27738"
                           zFract="0.19250135"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.1243"
                           xFract="0.01472749"
                           y3="0.07656"
                           yFract="0.00907109"
                           z3="8.43879"
                           zFract="0.37978353"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1823"
                           xFract="0.25856635"
                           y3="2.14051"
                           yFract="0.25361493"
                           z3="4.21257"
                           zFract="0.18958461"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30307"
                           xFract="0.27287559"
                           y3="1.91109"
                           yFract="0.22643246"
                           z3="8.85051"
                           zFract="0.39831278"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.09936"
                           xFract="0.48570616"
                           y3="2.15662"
                           yFract="0.2555237"
                           z3="6.38989"
                           zFract="0.28757381"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49282"
                           xFract="0.76929147"
                           y3="0.02416"
                           yFract="0.00286256"
                           z3="6.42936"
                           zFract="0.28935014"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.15739"
                           xFract="0.49258175"
                           y3="-0.01128"
                           yFract="-0.00133649"
                           z3="4.28253"
                           zFract="0.19273312"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12627"
                           xFract="0.48889455"
                           y3="-0.12028"
                           yFract="-0.01425118"
                           z3="8.45383"
                           zFract="0.3804604"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25767"
                           xFract="0.74143009"
                           y3="2.03209"
                           yFract="0.24076896"
                           z3="4.22931"
                           zFract="0.19033798"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20663"
                           xFract="0.7353827"
                           y3="2.07746"
                           yFract="0.24614455"
                           z3="8.77451"
                           zFract="0.39489244"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01264"
                           xFract="0.00149763"
                           y3="6.3292"
                           yFract="0.74990521"
                           z3="6.3702"
                           zFract="0.28668767"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09895"
                           xFract="0.24869076"
                           y3="4.21429"
                           yFract="0.49932346"
                           z3="6.28153"
                           zFract="0.28269712"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.12136"
                           xFract="-0.01437915"
                           y3="4.28228"
                           yFract="0.50737915"
                           z3="4.3261"
                           zFract="0.19469397"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04362"
                           xFract="0.00516825"
                           y3="4.21473"
                           yFract="0.49937559"
                           z3="8.48094"
                           zFract="0.38168047"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11124"
                           xFract="0.25014692"
                           y3="6.28251"
                           yFract="0.74437322"
                           z3="4.2045"
                           zFract="0.18922142"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04788"
                           xFract="0.24263981"
                           y3="6.4233"
                           yFract="0.7610545"
                           z3="8.46799"
                           zFract="0.38109766"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21365"
                           xFract="0.49924763"
                           y3="6.27481"
                           yFract="0.7434609"
                           z3="6.31569"
                           zFract="0.28423447"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31559"
                           xFract="0.74829265"
                           y3="4.20578"
                           yFract="0.49831517"
                           z3="6.5009"
                           zFract="0.29256976"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.32147"
                           xFract="0.51202251"
                           y3="4.21917"
                           yFract="0.49990166"
                           z3="4.2382"
                           zFract="0.19073807"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13967"
                           xFract="0.49048223"
                           y3="4.29024"
                           yFract="0.50832227"
                           z3="8.52925"
                           zFract="0.38385464"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32443"
                           xFract="0.74934005"
                           y3="6.39843"
                           yFract="0.75810782"
                           z3="4.20861"
                           zFract="0.18940639"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40621"
                           xFract="0.75902962"
                           y3="6.35512"
                           yFract="0.7529763"
                           z3="8.59768"
                           zFract="0.38693429"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.42">
                  <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="H"
                           id="a1"
                           x3="2.02533"
                           xFract="0.23996801"
                           y3="2.09182"
                           yFract="0.24784597"
                           z3="9.76682"
                           zFract="0.43955086"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3558"
                           xFract="0.75305687"
                           y3="4.20605"
                           yFract="0.49834716"
                           z3="8.53554"
                           zFract="0.38413771"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1292"
                           xFract="0.25227488"
                           y3="-0.07879"
                           yFract="-0.00933531"
                           z3="8.53714"
                           zFract="0.38420972"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02125"
                           xFract="0.00251777"
                           y3="0.02466"
                           yFract="0.0029218"
                           z3="6.39332"
                           zFract="0.28772817"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10796"
                           xFract="0.24975829"
                           y3="6.31679"
                           yFract="0.74843483"
                           z3="6.35461"
                           zFract="0.28598605"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08472"
                           xFract="0.24700474"
                           y3="2.11277"
                           yFract="0.2503282"
                           z3="6.27531"
                           zFract="0.28241719"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21393"
                           xFract="0.49928081"
                           y3="6.32013"
                           yFract="0.74883057"
                           z3="4.26035"
                           zFract="0.19173492"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22709"
                           xFract="0.50084005"
                           y3="2.10614"
                           yFract="0.24954265"
                           z3="4.23606"
                           zFract="0.19064176"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18546"
                           xFract="0.49590758"
                           y3="4.21805"
                           yFract="0.49976896"
                           z3="6.39685"
                           zFract="0.28788704"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00915"
                           xFract="0.00108412"
                           y3="4.19646"
                           yFract="0.4972109"
                           z3="6.37615"
                           zFract="0.28695545"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00131"
                           xFract="0.00015521"
                           y3="6.33105"
                           yFract="0.75012441"
                           z3="4.27636"
                           zFract="0.19245545"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.00212"
                           xFract="-0.00025118"
                           y3="6.34731"
                           yFract="0.75205095"
                           z3="8.41767"
                           zFract="0.37883303"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20695"
                           xFract="0.49845379"
                           y3="-0.00529"
                           yFract="-0.00062678"
                           z3="6.38193"
                           zFract="0.28721557"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00408"
                           xFract="-0.00048341"
                           y3="2.12998"
                           yFract="0.2523673"
                           z3="4.23664"
                           zFract="0.19066787"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.13304"
                           xFract="-0.01576303"
                           y3="2.16453"
                           yFract="0.2564609"
                           z3="8.42414"
                           zFract="0.37912421"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08723"
                           xFract="0.24730213"
                           y3="4.20052"
                           yFract="0.49769194"
                           z3="4.21198"
                           zFract="0.18955806"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33929"
                           xFract="0.75110071"
                           y3="0.01418"
                           yFract="0.00168009"
                           z3="4.23244"
                           zFract="0.19047885"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07437"
                           xFract="0.24577844"
                           y3="4.3475"
                           yFract="0.51510664"
                           z3="8.5561"
                           zFract="0.38506301"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.30627"
                           xFract="0.74718839"
                           y3="2.10666"
                           yFract="0.24960427"
                           z3="6.40445"
                           zFract="0.28822907"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09579"
                           xFract="0.24831635"
                           y3="-0.00032"
                           yFract="-0.00003791"
                           z3="4.22324"
                           zFract="0.19006481"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.26126"
                           xFract="0.50488863"
                           y3="6.2965"
                           yFract="0.74603081"
                           z3="8.47675"
                           zFract="0.3814919"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31927"
                           xFract="0.74872867"
                           y3="6.34618"
                           yFract="0.75191706"
                           z3="6.37658"
                           zFract="0.2869748"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.32918"
                           xFract="0.74990284"
                           y3="4.18595"
                           yFract="0.49596564"
                           z3="4.27333"
                           zFract="0.19231908"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31789"
                           xFract="0.74856517"
                           y3="0.02976"
                           yFract="0.00352607"
                           z3="8.53452"
                           zFract="0.38409181"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.29657"
                           xFract="0.50907227"
                           y3="2.17783"
                           yFract="0.25803673"
                           z3="8.50688"
                           zFract="0.38284788"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08319"
                           xFract="0.00985664"
                           y3="2.11245"
                           yFract="0.25029028"
                           z3="6.29541"
                           zFract="0.28332178"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97904"
                           xFract="0.23448341"
                           y3="0.00727"
                           yFract="0.00086137"
                           z3="6.38822"
                           zFract="0.28749865"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.04937"
                           xFract="0.00584953"
                           y3="-0.04796"
                           yFract="-0.00568246"
                           z3="4.27722"
                           zFract="0.19249415"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.12409"
                           xFract="0.01470261"
                           y3="0.07651"
                           yFract="0.00906517"
                           z3="8.43889"
                           zFract="0.37978803"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1825"
                           xFract="0.25859005"
                           y3="2.14082"
                           yFract="0.25365166"
                           z3="4.21295"
                           zFract="0.18960171"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30403"
                           xFract="0.27298934"
                           y3="1.91145"
                           yFract="0.22647512"
                           z3="8.84887"
                           zFract="0.39823897"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.09937"
                           xFract="0.48570735"
                           y3="2.15655"
                           yFract="0.2555154"
                           z3="6.38992"
                           zFract="0.28757516"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49282"
                           xFract="0.76929147"
                           y3="0.02433"
                           yFract="0.0028827"
                           z3="6.42947"
                           zFract="0.28935509"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.15699"
                           xFract="0.49253436"
                           y3="-0.01118"
                           yFract="-0.00132464"
                           z3="4.28288"
                           zFract="0.19274887"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12612"
                           xFract="0.48887678"
                           y3="-0.1200"
                           yFract="-0.01421801"
                           z3="8.45414"
                           zFract="0.38047435"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25761"
                           xFract="0.74142299"
                           y3="2.03211"
                           yFract="0.24077133"
                           z3="4.22858"
                           zFract="0.19030513"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20788"
                           xFract="0.73553081"
                           y3="2.07736"
                           yFract="0.2461327"
                           z3="8.77591"
                           zFract="0.39495545"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01233"
                           xFract="0.0014609"
                           y3="6.32912"
                           yFract="0.74989573"
                           z3="6.37009"
                           zFract="0.28668272"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09896"
                           xFract="0.24869194"
                           y3="4.21401"
                           yFract="0.49929028"
                           z3="6.28153"
                           zFract="0.28269712"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.12181"
                           xFract="-0.01443246"
                           y3="4.28213"
                           yFract="0.50736137"
                           z3="4.3263"
                           zFract="0.19470297"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04367"
                           xFract="0.00517417"
                           y3="4.2146"
                           yFract="0.49936019"
                           z3="8.48113"
                           zFract="0.38168902"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11108"
                           xFract="0.25012796"
                           y3="6.28232"
                           yFract="0.74435071"
                           z3="4.20446"
                           zFract="0.18921962"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04777"
                           xFract="0.24262678"
                           y3="6.42365"
                           yFract="0.76109597"
                           z3="8.46801"
                           zFract="0.38109856"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21365"
                           xFract="0.49924763"
                           y3="6.27486"
                           yFract="0.74346682"
                           z3="6.31573"
                           zFract="0.28423627"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31556"
                           xFract="0.7482891"
                           y3="4.20568"
                           yFract="0.49830332"
                           z3="6.50124"
                           zFract="0.29258506"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.32166"
                           xFract="0.51204502"
                           y3="4.21913"
                           yFract="0.49989692"
                           z3="4.23822"
                           zFract="0.19073897"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13973"
                           xFract="0.49048934"
                           y3="4.29016"
                           yFract="0.5083128"
                           z3="8.52938"
                           zFract="0.38386049"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32443"
                           xFract="0.74934005"
                           y3="6.39871"
                           yFract="0.758141"
                           z3="4.20867"
                           zFract="0.18940909"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40583"
                           xFract="0.7589846"
                           y3="6.35541"
                           yFract="0.75301066"
                           z3="8.5975"
                           zFract="0.38692619"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.43">
                  <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="H"
                           id="a1"
                           x3="2.02509"
                           xFract="0.23993957"
                           y3="2.09168"
                           yFract="0.24782938"
                           z3="9.77096"
                           zFract="0.43973717"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3557"
                           xFract="0.75304502"
                           y3="4.20574"
                           yFract="0.49831043"
                           z3="8.53568"
                           zFract="0.38414401"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12998"
                           xFract="0.2523673"
                           y3="-0.08054"
                           yFract="-0.00954265"
                           z3="8.53675"
                           zFract="0.38419217"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0223"
                           xFract="0.00264218"
                           y3="0.02402"
                           yFract="0.00284597"
                           z3="6.39343"
                           zFract="0.28773312"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10776"
                           xFract="0.2497346"
                           y3="6.31692"
                           yFract="0.74845024"
                           z3="6.35523"
                           zFract="0.28601395"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08603"
                           xFract="0.24715995"
                           y3="2.11272"
                           yFract="0.25032227"
                           z3="6.27531"
                           zFract="0.28241719"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21417"
                           xFract="0.49930924"
                           y3="6.32037"
                           yFract="0.748859"
                           z3="4.26029"
                           zFract="0.19173222"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2272"
                           xFract="0.50085308"
                           y3="2.10616"
                           yFract="0.24954502"
                           z3="4.23639"
                           zFract="0.19065662"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18535"
                           xFract="0.49589455"
                           y3="4.21806"
                           yFract="0.49977014"
                           z3="6.39687"
                           zFract="0.28788794"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00881"
                           xFract="0.00104384"
                           y3="4.19669"
                           yFract="0.49723815"
                           z3="6.37641"
                           zFract="0.28696715"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00077"
                           xFract="0.00009123"
                           y3="6.33093"
                           yFract="0.75011019"
                           z3="4.2761"
                           zFract="0.19244374"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.00146"
                           xFract="-0.00017299"
                           y3="6.34753"
                           yFract="0.75207701"
                           z3="8.41735"
                           zFract="0.37881863"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20657"
                           xFract="0.49840877"
                           y3="-0.00496"
                           yFract="-0.00058768"
                           z3="6.38277"
                           zFract="0.28725338"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00425"
                           xFract="-0.00050355"
                           y3="2.13008"
                           yFract="0.25237915"
                           z3="4.2364"
                           zFract="0.19065707"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.13421"
                           xFract="-0.01590166"
                           y3="2.1645"
                           yFract="0.25645735"
                           z3="8.42478"
                           zFract="0.37915302"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08727"
                           xFract="0.24730687"
                           y3="4.20059"
                           yFract="0.49770024"
                           z3="4.21232"
                           zFract="0.18957336"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33895"
                           xFract="0.75106043"
                           y3="0.01371"
                           yFract="0.00162441"
                           z3="4.23254"
                           zFract="0.19048335"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07483"
                           xFract="0.24583294"
                           y3="4.34693"
                           yFract="0.5150391"
                           z3="8.55673"
                           zFract="0.38509136"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.30708"
                           xFract="0.74728436"
                           y3="2.10692"
                           yFract="0.24963507"
                           z3="6.40405"
                           zFract="0.28821107"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09568"
                           xFract="0.24830332"
                           y3="-0.00031"
                           yFract="-0.00003673"
                           z3="4.22365"
                           zFract="0.19008326"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2608"
                           xFract="0.50483412"
                           y3="6.29659"
                           yFract="0.74604147"
                           z3="8.47731"
                           zFract="0.3815171"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31912"
                           xFract="0.7487109"
                           y3="6.34653"
                           yFract="0.75195853"
                           z3="6.3761"
                           zFract="0.2869532"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33017"
                           xFract="0.75002014"
                           y3="4.18572"
                           yFract="0.49593839"
                           z3="4.27339"
                           zFract="0.19232178"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31738"
                           xFract="0.74850474"
                           y3="0.02986"
                           yFract="0.00353791"
                           z3="8.53464"
                           zFract="0.38409721"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.29279"
                           xFract="0.50862441"
                           y3="2.17743"
                           yFract="0.25798934"
                           z3="8.50642"
                           zFract="0.38282718"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08191"
                           xFract="0.00970498"
                           y3="2.11288"
                           yFract="0.25034123"
                           z3="6.29572"
                           zFract="0.28333573"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97886"
                           xFract="0.23446209"
                           y3="0.00759"
                           yFract="0.00089929"
                           z3="6.38866"
                           zFract="0.28751845"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.05031"
                           xFract="0.0059609"
                           y3="-0.04775"
                           yFract="-0.00565758"
                           z3="4.27685"
                           zFract="0.1924775"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.12361"
                           xFract="0.01464573"
                           y3="0.07641"
                           yFract="0.00905332"
                           z3="8.43911"
                           zFract="0.37979793"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18294"
                           xFract="0.25864218"
                           y3="2.14152"
                           yFract="0.2537346"
                           z3="4.21382"
                           zFract="0.18964086"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30623"
                           xFract="0.27325"
                           y3="1.91228"
                           yFract="0.22657346"
                           z3="8.84513"
                           zFract="0.39807066"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.09941"
                           xFract="0.48571209"
                           y3="2.15639"
                           yFract="0.25549645"
                           z3="6.38999"
                           zFract="0.28757831"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49284"
                           xFract="0.76929384"
                           y3="0.02474"
                           yFract="0.00293128"
                           z3="6.42972"
                           zFract="0.28936634"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.15608"
                           xFract="0.49242654"
                           y3="-0.01095"
                           yFract="-0.00129739"
                           z3="4.28365"
                           zFract="0.19278353"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12578"
                           xFract="0.48883649"
                           y3="-0.11936"
                           yFract="-0.01414218"
                           z3="8.45483"
                           zFract="0.3805054"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25748"
                           xFract="0.74140758"
                           y3="2.03214"
                           yFract="0.24077488"
                           z3="4.22695"
                           zFract="0.19023177"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.21072"
                           xFract="0.7358673"
                           y3="2.07714"
                           yFract="0.24610664"
                           z3="8.77909"
                           zFract="0.39509856"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01162"
                           xFract="0.00137678"
                           y3="6.32894"
                           yFract="0.74987441"
                           z3="6.36983"
                           zFract="0.28667102"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09899"
                           xFract="0.2486955"
                           y3="4.21337"
                           yFract="0.49921445"
                           z3="6.28152"
                           zFract="0.28269667"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.12286"
                           xFract="-0.01455687"
                           y3="4.28178"
                           yFract="0.50731991"
                           z3="4.32677"
                           zFract="0.19472412"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04379"
                           xFract="0.00518839"
                           y3="4.21431"
                           yFract="0.49932583"
                           z3="8.48157"
                           zFract="0.38170882"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11072"
                           xFract="0.25008531"
                           y3="6.28189"
                           yFract="0.74429976"
                           z3="4.20436"
                           zFract="0.18921512"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04754"
                           xFract="0.24259953"
                           y3="6.42447"
                           yFract="0.76119313"
                           z3="8.46806"
                           zFract="0.38110081"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21366"
                           xFract="0.49924882"
                           y3="6.27497"
                           yFract="0.74347986"
                           z3="6.31582"
                           zFract="0.28424032"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31551"
                           xFract="0.74828318"
                           y3="4.20543"
                           yFract="0.4982737"
                           z3="6.50202"
                           zFract="0.29262016"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.32212"
                           xFract="0.51209953"
                           y3="4.21905"
                           yFract="0.49988744"
                           z3="4.23825"
                           zFract="0.19074032"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13986"
                           xFract="0.49050474"
                           y3="4.28999"
                           yFract="0.50829265"
                           z3="8.52968"
                           zFract="0.38387399"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32443"
                           xFract="0.74934005"
                           y3="6.39934"
                           yFract="0.75821564"
                           z3="4.2088"
                           zFract="0.18941494"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40498"
                           xFract="0.75888389"
                           y3="6.35607"
                           yFract="0.75308886"
                           z3="8.59708"
                           zFract="0.38690729"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.44">
                  <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="H"
                           id="a1"
                           x3="2.02584"
                           xFract="0.24002844"
                           y3="2.09104"
                           yFract="0.24775355"
                           z3="9.77046"
                           zFract="0.43971467"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35563"
                           xFract="0.75303673"
                           y3="4.2055"
                           yFract="0.49828199"
                           z3="8.5358"
                           zFract="0.38414941"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13048"
                           xFract="0.25242654"
                           y3="-0.08152"
                           yFract="-0.00965877"
                           z3="8.53639"
                           zFract="0.38417597"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02286"
                           xFract="0.00270853"
                           y3="0.02366"
                           yFract="0.00280332"
                           z3="6.39354"
                           zFract="0.28773807"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10765"
                           xFract="0.24972156"
                           y3="6.31696"
                           yFract="0.74845498"
                           z3="6.35557"
                           zFract="0.28602925"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08674"
                           xFract="0.24724408"
                           y3="2.11271"
                           yFract="0.25032109"
                           z3="6.27536"
                           zFract="0.28241944"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21435"
                           xFract="0.49933057"
                           y3="6.32054"
                           yFract="0.74887915"
                           z3="4.26027"
                           zFract="0.19173132"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22731"
                           xFract="0.50086611"
                           y3="2.10618"
                           yFract="0.24954739"
                           z3="4.23658"
                           zFract="0.19066517"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18529"
                           xFract="0.49588744"
                           y3="4.21811"
                           yFract="0.49977607"
                           z3="6.39688"
                           zFract="0.28788839"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00858"
                           xFract="0.00101659"
                           y3="4.19682"
                           yFract="0.49725355"
                           z3="6.37658"
                           zFract="0.2869748"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="0.00039"
                           xFract="0.00004621"
                           y3="6.33085"
                           yFract="0.75010071"
                           z3="4.27593"
                           zFract="0.19243609"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.00105"
                           xFract="-0.00012441"
                           y3="6.34763"
                           yFract="0.75208886"
                           z3="8.41714"
                           zFract="0.37880918"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20635"
                           xFract="0.4983827"
                           y3="-0.00475"
                           yFract="-0.0005628"
                           z3="6.38328"
                           zFract="0.28727633"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00438"
                           xFract="-0.00051896"
                           y3="2.13014"
                           yFract="0.25238626"
                           z3="4.2362"
                           zFract="0.19064806"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.13504"
                           xFract="-0.0160"
                           y3="2.16449"
                           yFract="0.25645616"
                           z3="8.42519"
                           zFract="0.37917147"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08729"
                           xFract="0.24730924"
                           y3="4.20064"
                           yFract="0.49770616"
                           z3="4.21252"
                           zFract="0.18958236"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33874"
                           xFract="0.75103555"
                           y3="0.01345"
                           yFract="0.0015936"
                           z3="4.23258"
                           zFract="0.19048515"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07515"
                           xFract="0.24587085"
                           y3="4.34654"
                           yFract="0.51499289"
                           z3="8.55718"
                           zFract="0.38511161"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.30764"
                           xFract="0.74735071"
                           y3="2.10709"
                           yFract="0.24965521"
                           z3="6.40377"
                           zFract="0.28819847"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09561"
                           xFract="0.24829502"
                           y3="-0.00034"
                           yFract="-0.00004028"
                           z3="4.2239"
                           zFract="0.19009451"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.26051"
                           xFract="0.50479976"
                           y3="6.29665"
                           yFract="0.74604858"
                           z3="8.47765"
                           zFract="0.3815324"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31901"
                           xFract="0.74869787"
                           y3="6.34675"
                           yFract="0.7519846"
                           z3="6.37579"
                           zFract="0.28693924"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33072"
                           xFract="0.75008531"
                           y3="4.18558"
                           yFract="0.4959218"
                           z3="4.27341"
                           zFract="0.19232268"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31707"
                           xFract="0.74846801"
                           y3="0.02994"
                           yFract="0.00354739"
                           z3="8.5347"
                           zFract="0.38409991"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.29089"
                           xFract="0.50839929"
                           y3="2.17715"
                           yFract="0.25795616"
                           z3="8.50606"
                           zFract="0.38281098"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.08112"
                           xFract="0.00961137"
                           y3="2.11322"
                           yFract="0.25038152"
                           z3="6.29584"
                           zFract="0.28334113"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97876"
                           xFract="0.23445024"
                           y3="0.00779"
                           yFract="0.00092299"
                           z3="6.38896"
                           zFract="0.28753195"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.05092"
                           xFract="0.00603318"
                           y3="-0.04766"
                           yFract="-0.00564692"
                           z3="4.27654"
                           zFract="0.19246355"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.1233"
                           xFract="0.014609"
                           y3="0.07639"
                           yFract="0.00905095"
                           z3="8.43924"
                           zFract="0.37980378"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18328"
                           xFract="0.25868246"
                           y3="2.14192"
                           yFract="0.25378199"
                           z3="4.21433"
                           zFract="0.18966382"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30651"
                           xFract="0.27328318"
                           y3="1.91339"
                           yFract="0.22670498"
                           z3="8.84581"
                           zFract="0.39810126"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.09943"
                           xFract="0.48571445"
                           y3="2.15627"
                           yFract="0.25548223"
                           z3="6.38998"
                           zFract="0.28757786"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.4929"
                           xFract="0.76930095"
                           y3="0.02498"
                           yFract="0.00295972"
                           z3="6.4299"
                           zFract="0.28937444"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.15554"
                           xFract="0.49236256"
                           y3="-0.01082"
                           yFract="-0.00128199"
                           z3="4.28417"
                           zFract="0.19280693"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12558"
                           xFract="0.4888128"
                           y3="-0.11901"
                           yFract="-0.01410071"
                           z3="8.45525"
                           zFract="0.3805243"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2574"
                           xFract="0.7413981"
                           y3="2.03222"
                           yFract="0.24078436"
                           z3="4.22582"
                           zFract="0.19018092"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.21222"
                           xFract="0.73604502"
                           y3="2.07701"
                           yFract="0.24609123"
                           z3="8.78107"
                           zFract="0.39518767"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.01114"
                           xFract="0.00131991"
                           y3="6.3288"
                           yFract="0.74985782"
                           z3="6.36961"
                           zFract="0.28666112"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09903"
                           xFract="0.24870024"
                           y3="4.21289"
                           yFract="0.49915758"
                           z3="6.28152"
                           zFract="0.28269667"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.12349"
                           xFract="-0.01463152"
                           y3="4.28154"
                           yFract="0.50729147"
                           z3="4.32711"
                           zFract="0.19473942"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04391"
                           xFract="0.00520261"
                           y3="4.2141"
                           yFract="0.49930095"
                           z3="8.48188"
                           zFract="0.38172277"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11051"
                           xFract="0.25006043"
                           y3="6.28168"
                           yFract="0.74427488"
                           z3="4.2043"
                           zFract="0.18921242"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04735"
                           xFract="0.24257701"
                           y3="6.42495"
                           yFract="0.76125"
                           z3="8.46814"
                           zFract="0.38110441"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2137"
                           xFract="0.49925355"
                           y3="6.27505"
                           yFract="0.74348934"
                           z3="6.31589"
                           zFract="0.28424347"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31548"
                           xFract="0.74827962"
                           y3="4.20527"
                           yFract="0.49825474"
                           z3="6.50248"
                           zFract="0.29264086"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.32238"
                           xFract="0.51213033"
                           y3="4.21902"
                           yFract="0.49988389"
                           z3="4.2383"
                           zFract="0.19074257"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.13997"
                           xFract="0.49051777"
                           y3="4.28993"
                           yFract="0.50828555"
                           z3="8.52981"
                           zFract="0.38387984"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32438"
                           xFract="0.74933412"
                           y3="6.39973"
                           yFract="0.75826185"
                           z3="4.20896"
                           zFract="0.18942214"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40445"
                           xFract="0.75882109"
                           y3="6.3565"
                           yFract="0.75313981"
                           z3="8.59679"
                           zFract="0.38689424"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.45">
                  <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="H"
                           id="a1"
                           x3="2.0281"
                           xFract="0.24029621"
                           y3="2.08914"
                           yFract="0.24752844"
                           z3="9.76899"
                           zFract="0.43964851"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35543"
                           xFract="0.75301303"
                           y3="4.20477"
                           yFract="0.4981955"
                           z3="8.53615"
                           zFract="0.38416517"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1320"
                           xFract="0.25260664"
                           y3="-0.08449"
                           yFract="-0.01001066"
                           z3="8.53533"
                           zFract="0.38412826"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02457"
                           xFract="0.00291114"
                           y3="0.02256"
                           yFract="0.00267299"
                           z3="6.39387"
                           zFract="0.28775293"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10731"
                           xFract="0.24968128"
                           y3="6.31708"
                           yFract="0.74846919"
                           z3="6.35662"
                           zFract="0.28607651"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08888"
                           xFract="0.24749763"
                           y3="2.11271"
                           yFract="0.25032109"
                           z3="6.27548"
                           zFract="0.28242484"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21489"
                           xFract="0.49939455"
                           y3="6.32103"
                           yFract="0.7489372"
                           z3="4.26022"
                           zFract="0.19172907"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22765"
                           xFract="0.5009064"
                           y3="2.10624"
                           yFract="0.2495545"
                           z3="4.23714"
                           zFract="0.19069037"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.1851"
                           xFract="0.49586493"
                           y3="4.21826"
                           yFract="0.49979384"
                           z3="6.3969"
                           zFract="0.28788929"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00791"
                           xFract="0.0009372"
                           y3="4.19722"
                           yFract="0.49730095"
                           z3="6.37708"
                           zFract="0.2869973"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00077"
                           xFract="-0.00009123"
                           y3="6.33058"
                           yFract="0.75006872"
                           z3="4.2754"
                           zFract="0.19241224"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00019"
                           xFract="0.00002251"
                           y3="6.34793"
                           yFract="0.75212441"
                           z3="8.41651"
                           zFract="0.37878083"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20569"
                           xFract="0.4983045"
                           y3="-0.00414"
                           yFract="-0.00049052"
                           z3="6.38481"
                           zFract="0.28734518"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00478"
                           xFract="-0.00056635"
                           y3="2.13031"
                           yFract="0.2524064"
                           z3="4.23562"
                           zFract="0.19062196"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.13753"
                           xFract="-0.01629502"
                           y3="2.16447"
                           yFract="0.25645379"
                           z3="8.42643"
                           zFract="0.37922727"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08733"
                           xFract="0.24731398"
                           y3="4.2008"
                           yFract="0.49772512"
                           z3="4.21312"
                           zFract="0.18960936"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33811"
                           xFract="0.7509609"
                           y3="0.01266"
                           yFract="0.0015"
                           z3="4.23271"
                           zFract="0.190491"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07614"
                           xFract="0.24598815"
                           y3="4.34535"
                           yFract="0.5148519"
                           z3="8.55852"
                           zFract="0.38517192"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.30935"
                           xFract="0.74755332"
                           y3="2.10758"
                           yFract="0.24971327"
                           z3="6.40294"
                           zFract="0.28816112"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.0954"
                           xFract="0.24827014"
                           y3="-0.00041"
                           yFract="-0.00004858"
                           z3="4.22466"
                           zFract="0.19012871"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25966"
                           xFract="0.50469905"
                           y3="6.29682"
                           yFract="0.74606872"
                           z3="8.47867"
                           zFract="0.38157831"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31866"
                           xFract="0.7486564"
                           y3="6.34741"
                           yFract="0.7520628"
                           z3="6.37485"
                           zFract="0.28689694"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33236"
                           xFract="0.75027962"
                           y3="4.18516"
                           yFract="0.49587204"
                           z3="4.27348"
                           zFract="0.19232583"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31616"
                           xFract="0.74836019"
                           y3="0.03021"
                           yFract="0.00357938"
                           z3="8.53488"
                           zFract="0.38410801"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2852"
                           xFract="0.50772512"
                           y3="2.17633"
                           yFract="0.257859"
                           z3="8.50498"
                           zFract="0.38276238"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.07874"
                           xFract="0.00932938"
                           y3="2.11423"
                           yFract="0.25050118"
                           z3="6.29619"
                           zFract="0.28335689"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97846"
                           xFract="0.23441469"
                           y3="0.00838"
                           yFract="0.00099289"
                           z3="6.38988"
                           zFract="0.28757336"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.05274"
                           xFract="0.00624882"
                           y3="-0.04738"
                           yFract="-0.00561374"
                           z3="4.27563"
                           zFract="0.19242259"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.12237"
                           xFract="0.01449882"
                           y3="0.07631"
                           yFract="0.00904147"
                           z3="8.43962"
                           zFract="0.37982088"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18427"
                           xFract="0.25879976"
                           y3="2.14312"
                           yFract="0.25392417"
                           z3="4.21586"
                           zFract="0.18973267"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30733"
                           xFract="0.27338033"
                           y3="1.91669"
                           yFract="0.22709597"
                           z3="8.84785"
                           zFract="0.39819307"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.09951"
                           xFract="0.48572393"
                           y3="2.1559"
                           yFract="0.25543839"
                           z3="6.38995"
                           zFract="0.28757651"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49311"
                           xFract="0.76932583"
                           y3="0.02569"
                           yFract="0.00304384"
                           z3="6.43045"
                           zFract="0.28939919"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.15393"
                           xFract="0.4921718"
                           y3="-0.01043"
                           yFract="-0.00123578"
                           z3="4.28571"
                           zFract="0.19287624"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12497"
                           xFract="0.48874052"
                           y3="-0.11795"
                           yFract="-0.01397512"
                           z3="8.45651"
                           zFract="0.38058101"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25717"
                           xFract="0.74137085"
                           y3="2.03243"
                           yFract="0.24080924"
                           z3="4.22243"
                           zFract="0.19002835"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.21674"
                           xFract="0.73658057"
                           y3="2.07663"
                           yFract="0.24604621"
                           z3="8.78702"
                           zFract="0.39545545"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00971"
                           xFract="0.00115047"
                           y3="6.32836"
                           yFract="0.74980569"
                           z3="6.36896"
                           zFract="0.28663186"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09915"
                           xFract="0.24871445"
                           y3="4.21147"
                           yFract="0.49898934"
                           z3="6.28153"
                           zFract="0.28269712"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.12538"
                           xFract="-0.01485545"
                           y3="4.28084"
                           yFract="0.50720853"
                           z3="4.32814"
                           zFract="0.19478578"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04428"
                           xFract="0.00524645"
                           y3="4.21347"
                           yFract="0.4992263"
                           z3="8.48281"
                           zFract="0.38176463"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10989"
                           xFract="0.24998697"
                           y3="6.28105"
                           yFract="0.74420024"
                           z3="4.20411"
                           zFract="0.18920387"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04677"
                           xFract="0.24250829"
                           y3="6.42638"
                           yFract="0.76141943"
                           z3="8.46838"
                           zFract="0.38111521"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2138"
                           xFract="0.4992654"
                           y3="6.27529"
                           yFract="0.74351777"
                           z3="6.31612"
                           zFract="0.28425383"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31539"
                           xFract="0.74826896"
                           y3="4.2048"
                           yFract="0.49819905"
                           z3="6.50387"
                           zFract="0.29270342"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.32317"
                           xFract="0.51222393"
                           y3="4.21891"
                           yFract="0.49987085"
                           z3="4.23844"
                           zFract="0.19074887"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14032"
                           xFract="0.49055924"
                           y3="4.28977"
                           yFract="0.50826659"
                           z3="8.53021"
                           zFract="0.38389784"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32424"
                           xFract="0.74931754"
                           y3="6.4009"
                           yFract="0.75840047"
                           z3="4.20946"
                           zFract="0.18944464"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40284"
                           xFract="0.75863033"
                           y3="6.3578"
                           yFract="0.75329384"
                           z3="8.5959"
                           zFract="0.38685419"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.46">
                  <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="H"
                           id="a1"
                           x3="2.02878"
                           xFract="0.24037678"
                           y3="2.08857"
                           yFract="0.2474609"
                           z3="9.76854"
                           zFract="0.43962826"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35537"
                           xFract="0.75300592"
                           y3="4.20456"
                           yFract="0.49817062"
                           z3="8.53625"
                           zFract="0.38416967"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13245"
                           xFract="0.25265995"
                           y3="-0.08538"
                           yFract="-0.01011611"
                           z3="8.53502"
                           zFract="0.38411431"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02508"
                           xFract="0.00297156"
                           y3="0.02223"
                           yFract="0.00263389"
                           z3="6.39397"
                           zFract="0.28775743"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10721"
                           xFract="0.24966943"
                           y3="6.31712"
                           yFract="0.74847393"
                           z3="6.35693"
                           zFract="0.28609046"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08953"
                           xFract="0.24757464"
                           y3="2.1127"
                           yFract="0.25031991"
                           z3="6.27552"
                           zFract="0.28242664"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21506"
                           xFract="0.49941469"
                           y3="6.32118"
                           yFract="0.74895498"
                           z3="4.2602"
                           zFract="0.19172817"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22775"
                           xFract="0.50091825"
                           y3="2.10626"
                           yFract="0.24955687"
                           z3="4.23731"
                           zFract="0.19069802"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18504"
                           xFract="0.49585782"
                           y3="4.2183"
                           yFract="0.49979858"
                           z3="6.3969"
                           zFract="0.28788929"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00771"
                           xFract="0.00091351"
                           y3="4.19734"
                           yFract="0.49731517"
                           z3="6.37724"
                           zFract="0.2870045"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00112"
                           xFract="-0.0001327"
                           y3="6.3305"
                           yFract="0.75005924"
                           z3="4.27525"
                           zFract="0.19240549"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00056"
                           xFract="0.00006635"
                           y3="6.34802"
                           yFract="0.75213507"
                           z3="8.41632"
                           zFract="0.37877228"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20549"
                           xFract="0.49828081"
                           y3="-0.00395"
                           yFract="-0.00046801"
                           z3="6.38527"
                           zFract="0.28736589"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00489"
                           xFract="-0.00057938"
                           y3="2.13036"
                           yFract="0.25241232"
                           z3="4.23545"
                           zFract="0.19061431"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.13828"
                           xFract="-0.01638389"
                           y3="2.16447"
                           yFract="0.25645379"
                           z3="8.4268"
                           zFract="0.37924392"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08734"
                           xFract="0.24731517"
                           y3="4.20084"
                           yFract="0.49772986"
                           z3="4.2133"
                           zFract="0.18961746"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33792"
                           xFract="0.75093839"
                           y3="0.01242"
                           yFract="0.00147156"
                           z3="4.23274"
                           zFract="0.19049235"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07644"
                           xFract="0.2460237"
                           y3="4.34499"
                           yFract="0.51480924"
                           z3="8.55892"
                           zFract="0.38518992"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.30987"
                           xFract="0.74761493"
                           y3="2.10773"
                           yFract="0.24973104"
                           z3="6.40268"
                           zFract="0.28814941"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09533"
                           xFract="0.24826185"
                           y3="-0.00043"
                           yFract="-0.00005095"
                           z3="4.22489"
                           zFract="0.19013906"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2594"
                           xFract="0.50466825"
                           y3="6.29688"
                           yFract="0.74607583"
                           z3="8.47898"
                           zFract="0.38159226"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31856"
                           xFract="0.74864455"
                           y3="6.3476"
                           yFract="0.75208531"
                           z3="6.37457"
                           zFract="0.28688434"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33286"
                           xFract="0.75033886"
                           y3="4.18503"
                           yFract="0.49585664"
                           z3="4.2735"
                           zFract="0.19232673"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31588"
                           xFract="0.74832701"
                           y3="0.03028"
                           yFract="0.00358768"
                           z3="8.53493"
                           zFract="0.38411026"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.28349"
                           xFract="0.50752251"
                           y3="2.17608"
                           yFract="0.25782938"
                           z3="8.50465"
                           zFract="0.38274752"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.07802"
                           xFract="0.00924408"
                           y3="2.11453"
                           yFract="0.25053673"
                           z3="6.2963"
                           zFract="0.28336184"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97837"
                           xFract="0.23440403"
                           y3="0.00855"
                           yFract="0.00101303"
                           z3="6.39015"
                           zFract="0.28758551"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.05329"
                           xFract="0.00631398"
                           y3="-0.0473"
                           yFract="-0.00560427"
                           z3="4.27535"
                           zFract="0.19240999"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.12209"
                           xFract="0.01446564"
                           y3="0.07629"
                           yFract="0.0090391"
                           z3="8.43973"
                           zFract="0.37982583"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18457"
                           xFract="0.25883531"
                           y3="2.14347"
                           yFract="0.25396564"
                           z3="4.21632"
                           zFract="0.18975338"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30758"
                           xFract="0.27340995"
                           y3="1.91768"
                           yFract="0.22721327"
                           z3="8.84846"
                           zFract="0.39822052"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.09953"
                           xFract="0.4857263"
                           y3="2.15579"
                           yFract="0.25542536"
                           z3="6.38994"
                           zFract="0.28757606"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49317"
                           xFract="0.76933294"
                           y3="0.0259"
                           yFract="0.00306872"
                           z3="6.43061"
                           zFract="0.28940639"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.15345"
                           xFract="0.49211493"
                           y3="-0.01032"
                           yFract="-0.00122275"
                           z3="4.28618"
                           zFract="0.19289739"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12479"
                           xFract="0.48871919"
                           y3="-0.11764"
                           yFract="-0.01393839"
                           z3="8.45689"
                           zFract="0.38059811"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2571"
                           xFract="0.74136256"
                           y3="2.0325"
                           yFract="0.24081754"
                           z3="4.22141"
                           zFract="0.18998245"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.2181"
                           xFract="0.73674171"
                           y3="2.07652"
                           yFract="0.24603318"
                           z3="8.7888"
                           zFract="0.39553555"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00928"
                           xFract="0.00109953"
                           y3="6.32823"
                           yFract="0.74979028"
                           z3="6.36876"
                           zFract="0.28662286"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09918"
                           xFract="0.24871801"
                           y3="4.21105"
                           yFract="0.49893957"
                           z3="6.28154"
                           zFract="0.28269757"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.12595"
                           xFract="-0.01492299"
                           y3="4.28063"
                           yFract="0.50718365"
                           z3="4.32845"
                           zFract="0.19479973"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04438"
                           xFract="0.00525829"
                           y3="4.21328"
                           yFract="0.49920379"
                           z3="8.48308"
                           zFract="0.38177678"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10971"
                           xFract="0.24996564"
                           y3="6.28087"
                           yFract="0.74417891"
                           z3="4.20406"
                           zFract="0.18920162"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0466"
                           xFract="0.24248815"
                           y3="6.4268"
                           yFract="0.76146919"
                           z3="8.46846"
                           zFract="0.38111881"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21384"
                           xFract="0.49927014"
                           y3="6.27536"
                           yFract="0.74352607"
                           z3="6.31619"
                           zFract="0.28425698"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31536"
                           xFract="0.7482654"
                           y3="4.20466"
                           yFract="0.49818246"
                           z3="6.50429"
                           zFract="0.29272232"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3234"
                           xFract="0.51225118"
                           y3="4.21888"
                           yFract="0.4998673"
                           z3="4.23848"
                           zFract="0.19075068"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14042"
                           xFract="0.49057109"
                           y3="4.28972"
                           yFract="0.50826066"
                           z3="8.53033"
                           zFract="0.38390324"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32419"
                           xFract="0.74931161"
                           y3="6.40125"
                           yFract="0.75844194"
                           z3="4.20961"
                           zFract="0.1894514"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40236"
                           xFract="0.75857346"
                           y3="6.35818"
                           yFract="0.75333886"
                           z3="8.59563"
                           zFract="0.38684203"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.47">
                  <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="H"
                           id="a1"
                           x3="2.02946"
                           xFract="0.24045735"
                           y3="2.08795"
                           yFract="0.24738744"
                           z3="9.76878"
                           zFract="0.43963906"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35525"
                           xFract="0.75299171"
                           y3="4.20412"
                           yFract="0.49811848"
                           z3="8.53651"
                           zFract="0.38418137"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13241"
                           xFract="0.25265521"
                           y3="-0.08512"
                           yFract="-0.01008531"
                           z3="8.53474"
                           zFract="0.38410171"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02499"
                           xFract="0.0029609"
                           y3="0.0222"
                           yFract="0.00263033"
                           z3="6.39416"
                           zFract="0.28776598"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10718"
                           xFract="0.24966588"
                           y3="6.31695"
                           yFract="0.74845379"
                           z3="6.35698"
                           zFract="0.28609271"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08932"
                           xFract="0.24754976"
                           y3="2.11277"
                           yFract="0.2503282"
                           z3="6.27554"
                           zFract="0.28242754"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21514"
                           xFract="0.49942417"
                           y3="6.32132"
                           yFract="0.74897156"
                           z3="4.26026"
                           zFract="0.19173087"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22794"
                           xFract="0.50094076"
                           y3="2.1063"
                           yFract="0.24956161"
                           z3="4.23736"
                           zFract="0.19070027"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18507"
                           xFract="0.49586137"
                           y3="4.21852"
                           yFract="0.49982464"
                           z3="6.39688"
                           zFract="0.28788839"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00757"
                           xFract="0.00089692"
                           y3="4.19738"
                           yFract="0.49731991"
                           z3="6.37755"
                           zFract="0.28701845"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00144"
                           xFract="-0.00017062"
                           y3="6.33043"
                           yFract="0.75005095"
                           z3="4.27502"
                           zFract="0.19239514"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00046"
                           xFract="0.0000545"
                           y3="6.34806"
                           yFract="0.75213981"
                           z3="8.41618"
                           zFract="0.37876598"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20537"
                           xFract="0.49826659"
                           y3="-0.00386"
                           yFract="-0.00045735"
                           z3="6.38572"
                           zFract="0.28738614"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00502"
                           xFract="-0.00059479"
                           y3="2.13035"
                           yFract="0.25241114"
                           z3="4.23529"
                           zFract="0.19060711"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.13925"
                           xFract="-0.01649882"
                           y3="2.16436"
                           yFract="0.25644076"
                           z3="8.42728"
                           zFract="0.37926553"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08737"
                           xFract="0.24731872"
                           y3="4.20092"
                           yFract="0.49773934"
                           z3="4.21345"
                           zFract="0.18962421"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33771"
                           xFract="0.75091351"
                           y3="0.01252"
                           yFract="0.00148341"
                           z3="4.23279"
                           zFract="0.1904946"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07669"
                           xFract="0.24605332"
                           y3="4.34455"
                           yFract="0.51475711"
                           z3="8.55948"
                           zFract="0.38521512"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.31064"
                           xFract="0.74770616"
                           y3="2.1079"
                           yFract="0.24975118"
                           z3="6.40237"
                           zFract="0.28813546"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09534"
                           xFract="0.24826303"
                           y3="-0.00046"
                           yFract="-0.0000545"
                           z3="4.22504"
                           zFract="0.19014581"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2593"
                           xFract="0.5046564"
                           y3="6.29687"
                           yFract="0.74607464"
                           z3="8.4793"
                           zFract="0.38160666"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31831"
                           xFract="0.74861493"
                           y3="6.34787"
                           yFract="0.7521173"
                           z3="6.37441"
                           zFract="0.28687714"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33282"
                           xFract="0.75033412"
                           y3="4.18477"
                           yFract="0.49582583"
                           z3="4.27348"
                           zFract="0.19232583"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31561"
                           xFract="0.74829502"
                           y3="0.03057"
                           yFract="0.00362204"
                           z3="8.53509"
                           zFract="0.38411746"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.28435"
                           xFract="0.50762441"
                           y3="2.17571"
                           yFract="0.25778555"
                           z3="8.50444"
                           zFract="0.38273807"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.07753"
                           xFract="0.00918602"
                           y3="2.11476"
                           yFract="0.25056398"
                           z3="6.29634"
                           zFract="0.28336364"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97844"
                           xFract="0.23441232"
                           y3="0.00874"
                           yFract="0.00103555"
                           z3="6.39064"
                           zFract="0.28760756"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.05395"
                           xFract="0.00639218"
                           y3="-0.0472"
                           yFract="-0.00559242"
                           z3="4.27506"
                           zFract="0.19239694"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.1221"
                           xFract="0.01446682"
                           y3="0.07616"
                           yFract="0.0090237"
                           z3="8.43974"
                           zFract="0.37982628"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18491"
                           xFract="0.25887559"
                           y3="2.14388"
                           yFract="0.25401422"
                           z3="4.21678"
                           zFract="0.18977408"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30719"
                           xFract="0.27336374"
                           y3="1.91838"
                           yFract="0.22729621"
                           z3="8.84855"
                           zFract="0.39822457"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.10007"
                           xFract="0.48579028"
                           y3="2.15578"
                           yFract="0.25542417"
                           z3="6.39006"
                           zFract="0.28758146"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49341"
                           xFract="0.76936137"
                           y3="0.02626"
                           yFract="0.00311137"
                           z3="6.43067"
                           zFract="0.28940909"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.15286"
                           xFract="0.49204502"
                           y3="-0.01022"
                           yFract="-0.0012109"
                           z3="4.28672"
                           zFract="0.19292169"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.1247"
                           xFract="0.48870853"
                           y3="-0.11736"
                           yFract="-0.01390521"
                           z3="8.4574"
                           zFract="0.38062106"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2570"
                           xFract="0.74135071"
                           y3="2.03238"
                           yFract="0.24080332"
                           z3="4.22009"
                           zFract="0.18992304"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.21764"
                           xFract="0.7366872"
                           y3="2.07651"
                           yFract="0.24603199"
                           z3="8.79112"
                           zFract="0.39563996"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00893"
                           xFract="0.00105806"
                           y3="6.3280"
                           yFract="0.74976303"
                           z3="6.36853"
                           zFract="0.28661251"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09921"
                           xFract="0.24872156"
                           y3="4.21069"
                           yFract="0.49889692"
                           z3="6.28167"
                           zFract="0.28270342"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.12635"
                           xFract="-0.01497038"
                           y3="4.28046"
                           yFract="0.50716351"
                           z3="4.32883"
                           zFract="0.19481683"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04467"
                           xFract="0.00529265"
                           y3="4.21325"
                           yFract="0.49920024"
                           z3="8.48344"
                           zFract="0.38179298"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10953"
                           xFract="0.24994431"
                           y3="6.28058"
                           yFract="0.74414455"
                           z3="4.20412"
                           zFract="0.18920432"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04655"
                           xFract="0.24248223"
                           y3="6.42657"
                           yFract="0.76144194"
                           z3="8.46858"
                           zFract="0.38112421"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21378"
                           xFract="0.49926303"
                           y3="6.27539"
                           yFract="0.74352962"
                           z3="6.31637"
                           zFract="0.28426508"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31522"
                           xFract="0.74824882"
                           y3="4.20436"
                           yFract="0.49814692"
                           z3="6.50478"
                           zFract="0.29274437"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3239"
                           xFract="0.51231043"
                           y3="4.21897"
                           yFract="0.49987796"
                           z3="4.23859"
                           zFract="0.19075563"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14063"
                           xFract="0.49059597"
                           y3="4.28966"
                           yFract="0.50825355"
                           z3="8.53041"
                           zFract="0.38390684"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32408"
                           xFract="0.74929858"
                           y3="6.40168"
                           yFract="0.75849289"
                           z3="4.20977"
                           zFract="0.1894586"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40191"
                           xFract="0.75852014"
                           y3="6.35862"
                           yFract="0.753391"
                           z3="8.59518"
                           zFract="0.38682178"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.48">
                  <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="H"
                           id="a1"
                           x3="2.03148"
                           xFract="0.24069668"
                           y3="2.0861"
                           yFract="0.24716825"
                           z3="9.76952"
                           zFract="0.43967237"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35486"
                           xFract="0.7529455"
                           y3="4.20281"
                           yFract="0.49796327"
                           z3="8.53728"
                           zFract="0.38421602"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1323"
                           xFract="0.25264218"
                           y3="-0.08435"
                           yFract="-0.00999408"
                           z3="8.53391"
                           zFract="0.38406436"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02471"
                           xFract="0.00292773"
                           y3="0.0221"
                           yFract="0.00261848"
                           z3="6.39474"
                           zFract="0.28779208"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10709"
                           xFract="0.24965521"
                           y3="6.31645"
                           yFract="0.74839455"
                           z3="6.35711"
                           zFract="0.28609856"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08868"
                           xFract="0.24747393"
                           y3="2.11298"
                           yFract="0.25035308"
                           z3="6.27561"
                           zFract="0.28243069"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21538"
                           xFract="0.49945261"
                           y3="6.32173"
                           yFract="0.74902014"
                           z3="4.26043"
                           zFract="0.19173852"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22854"
                           xFract="0.50101185"
                           y3="2.1064"
                           yFract="0.24957346"
                           z3="4.23749"
                           zFract="0.19070612"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18517"
                           xFract="0.49587322"
                           y3="4.21919"
                           yFract="0.49990403"
                           z3="6.39684"
                           zFract="0.28788659"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00716"
                           xFract="0.00084834"
                           y3="4.19752"
                           yFract="0.49733649"
                           z3="6.37848"
                           zFract="0.28706031"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00241"
                           xFract="-0.00028555"
                           y3="6.33019"
                           yFract="0.75002251"
                           z3="4.27433"
                           zFract="0.19236409"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.00016"
                           xFract="0.00001896"
                           y3="6.34817"
                           yFract="0.75215284"
                           z3="8.41575"
                           zFract="0.37874662"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20504"
                           xFract="0.49822749"
                           y3="-0.00359"
                           yFract="-0.00042536"
                           z3="6.3871"
                           zFract="0.28744824"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.0054"
                           xFract="-0.00063981"
                           y3="2.13032"
                           yFract="0.25240758"
                           z3="4.23483"
                           zFract="0.19058641"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.14214"
                           xFract="-0.01684123"
                           y3="2.16403"
                           yFract="0.25640166"
                           z3="8.42874"
                           zFract="0.37933123"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08745"
                           xFract="0.2473282"
                           y3="4.20115"
                           yFract="0.49776659"
                           z3="4.21389"
                           zFract="0.18964401"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33709"
                           xFract="0.75084005"
                           y3="0.01282"
                           yFract="0.00151896"
                           z3="4.23294"
                           zFract="0.19050135"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07746"
                           xFract="0.24614455"
                           y3="4.34322"
                           yFract="0.51459953"
                           z3="8.56116"
                           zFract="0.38529073"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.31297"
                           xFract="0.74798223"
                           y3="2.10842"
                           yFract="0.2498128"
                           z3="6.40144"
                           zFract="0.28809361"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09535"
                           xFract="0.24826422"
                           y3="-0.00058"
                           yFract="-0.00006872"
                           z3="4.22549"
                           zFract="0.19016607"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25901"
                           xFract="0.50462204"
                           y3="6.29684"
                           yFract="0.74607109"
                           z3="8.48027"
                           zFract="0.38165032"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31759"
                           xFract="0.74852962"
                           y3="6.34868"
                           yFract="0.75221327"
                           z3="6.37394"
                           zFract="0.28685599"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3327"
                           xFract="0.75031991"
                           y3="4.18398"
                           yFract="0.49573223"
                           z3="4.2734"
                           zFract="0.19232223"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31477"
                           xFract="0.7481955"
                           y3="0.03143"
                           yFract="0.00372393"
                           z3="8.53556"
                           zFract="0.38413861"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.28693"
                           xFract="0.50793009"
                           y3="2.17459"
                           yFract="0.25765284"
                           z3="8.50382"
                           zFract="0.38271017"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.07605"
                           xFract="0.00901066"
                           y3="2.11547"
                           yFract="0.2506481"
                           z3="6.29648"
                           zFract="0.28336994"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97865"
                           xFract="0.2344372"
                           y3="0.0093"
                           yFract="0.0011019"
                           z3="6.3921"
                           zFract="0.28767327"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.05591"
                           xFract="0.00662441"
                           y3="-0.04692"
                           yFract="-0.00555924"
                           z3="4.27417"
                           zFract="0.19235689"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.12212"
                           xFract="0.01446919"
                           y3="0.07575"
                           yFract="0.00897512"
                           z3="8.43976"
                           zFract="0.37982718"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18593"
                           xFract="0.25899645"
                           y3="2.14512"
                           yFract="0.25416114"
                           z3="4.21815"
                           zFract="0.18983573"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.3060"
                           xFract="0.27322275"
                           y3="1.92049"
                           yFract="0.22754621"
                           z3="8.84883"
                           zFract="0.39823717"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.10168"
                           xFract="0.48598104"
                           y3="2.15573"
                           yFract="0.25541825"
                           z3="6.39041"
                           zFract="0.28759721"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49414"
                           xFract="0.76944787"
                           y3="0.02733"
                           yFract="0.00323815"
                           z3="6.43082"
                           zFract="0.28941584"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.1511"
                           xFract="0.49183649"
                           y3="-0.00994"
                           yFract="-0.00117773"
                           z3="4.28837"
                           zFract="0.19299595"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12443"
                           xFract="0.48867654"
                           y3="-0.11651"
                           yFract="-0.0138045"
                           z3="8.45891"
                           zFract="0.38068902"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2567"
                           xFract="0.74131517"
                           y3="2.03202"
                           yFract="0.24076066"
                           z3="4.21614"
                           zFract="0.18974527"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.21626"
                           xFract="0.7365237"
                           y3="2.0765"
                           yFract="0.24603081"
                           z3="8.79807"
                           zFract="0.39595275"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0079"
                           xFract="0.00093602"
                           y3="6.32733"
                           yFract="0.74968365"
                           z3="6.36784"
                           zFract="0.28658146"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09928"
                           xFract="0.24872986"
                           y3="4.20963"
                           yFract="0.49877133"
                           z3="6.28207"
                           zFract="0.28272142"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.12756"
                           xFract="-0.01511374"
                           y3="4.27994"
                           yFract="0.5071019"
                           z3="4.32996"
                           zFract="0.19486769"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04554"
                           xFract="0.00539573"
                           y3="4.21314"
                           yFract="0.4991872"
                           z3="8.48451"
                           zFract="0.38184113"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10899"
                           xFract="0.24988033"
                           y3="6.27973"
                           yFract="0.74404384"
                           z3="4.20431"
                           zFract="0.18921287"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04642"
                           xFract="0.24246682"
                           y3="6.42586"
                           yFract="0.76135782"
                           z3="8.46897"
                           zFract="0.38114176"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21361"
                           xFract="0.49924289"
                           y3="6.27548"
                           yFract="0.74354028"
                           z3="6.31689"
                           zFract="0.28428848"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31481"
                           xFract="0.74820024"
                           y3="4.20345"
                           yFract="0.4980391"
                           z3="6.50625"
                           zFract="0.29281053"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3254"
                           xFract="0.51248815"
                           y3="4.21922"
                           yFract="0.49990758"
                           z3="4.23892"
                           zFract="0.19077048"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14124"
                           xFract="0.49066825"
                           y3="4.28948"
                           yFract="0.50823223"
                           z3="8.53065"
                           zFract="0.38391764"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32374"
                           xFract="0.74925829"
                           y3="6.40297"
                           yFract="0.75864573"
                           z3="4.21027"
                           zFract="0.1894811"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.40058"
                           xFract="0.75836256"
                           y3="6.35991"
                           yFract="0.75354384"
                           z3="8.59384"
                           zFract="0.38676148"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.49">
                  <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="H"
                           id="a1"
                           x3="2.03554"
                           xFract="0.24117773"
                           y3="2.0824"
                           yFract="0.24672986"
                           z3="9.77098"
                           zFract="0.43973807"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3541"
                           xFract="0.75285545"
                           y3="4.20018"
                           yFract="0.49765166"
                           z3="8.53883"
                           zFract="0.38428578"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13208"
                           xFract="0.25261611"
                           y3="-0.08281"
                           yFract="-0.00981161"
                           z3="8.53225"
                           zFract="0.38398965"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02415"
                           xFract="0.00286137"
                           y3="0.02189"
                           yFract="0.0025936"
                           z3="6.39589"
                           zFract="0.28784383"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.1069"
                           xFract="0.2496327"
                           y3="6.31546"
                           yFract="0.74827725"
                           z3="6.35737"
                           zFract="0.28611026"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08742"
                           xFract="0.24732464"
                           y3="2.1134"
                           yFract="0.25040284"
                           z3="6.27576"
                           zFract="0.28243744"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21586"
                           xFract="0.49950948"
                           y3="6.32255"
                           yFract="0.7491173"
                           z3="4.26078"
                           zFract="0.19175428"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22973"
                           xFract="0.50115284"
                           y3="2.10661"
                           yFract="0.24959834"
                           z3="4.23777"
                           zFract="0.19071872"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18535"
                           xFract="0.49589455"
                           y3="4.22051"
                           yFract="0.50006043"
                           z3="6.39674"
                           zFract="0.28788209"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00633"
                           xFract="0.00075"
                           y3="4.19779"
                           yFract="0.49736848"
                           z3="6.38035"
                           zFract="0.28714446"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00434"
                           xFract="-0.00051422"
                           y3="6.32972"
                           yFract="0.74996682"
                           z3="4.27296"
                           zFract="0.19230243"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.00044"
                           xFract="-0.00005213"
                           y3="6.34838"
                           yFract="0.75217773"
                           z3="8.4149"
                           zFract="0.37870837"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20436"
                           xFract="0.49814692"
                           y3="-0.00304"
                           yFract="-0.00036019"
                           z3="6.38985"
                           zFract="0.28757201"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00615"
                           xFract="-0.00072867"
                           y3="2.13025"
                           yFract="0.25239929"
                           z3="4.2339"
                           zFract="0.19054455"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.14794"
                           xFract="-0.01752844"
                           y3="2.16336"
                           yFract="0.25632227"
                           z3="8.43166"
                           zFract="0.37946265"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08761"
                           xFract="0.24734716"
                           y3="4.20161"
                           yFract="0.49782109"
                           z3="4.21478"
                           zFract="0.18968407"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33584"
                           xFract="0.75069194"
                           y3="0.01342"
                           yFract="0.00159005"
                           z3="4.23325"
                           zFract="0.1905153"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.0790"
                           xFract="0.24632701"
                           y3="4.34057"
                           yFract="0.51428555"
                           z3="8.56453"
                           zFract="0.38544239"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.31762"
                           xFract="0.74853318"
                           y3="2.10945"
                           yFract="0.24993483"
                           z3="6.39959"
                           zFract="0.28801035"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09536"
                           xFract="0.2482654"
                           y3="-0.0008"
                           yFract="-0.00009479"
                           z3="4.22639"
                           zFract="0.19020657"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25842"
                           xFract="0.50455213"
                           y3="6.29678"
                           yFract="0.74606398"
                           z3="8.48221"
                           zFract="0.38173762"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31613"
                           xFract="0.74835664"
                           y3="6.35029"
                           yFract="0.75240403"
                           z3="6.3730"
                           zFract="0.28681368"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33248"
                           xFract="0.75029384"
                           y3="4.1824"
                           yFract="0.49554502"
                           z3="4.27324"
                           zFract="0.19231503"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31311"
                           xFract="0.74799882"
                           y3="0.03316"
                           yFract="0.00392891"
                           z3="8.53652"
                           zFract="0.38418182"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.29209"
                           xFract="0.50854147"
                           y3="2.17236"
                           yFract="0.25738863"
                           z3="8.50258"
                           zFract="0.38265437"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.07309"
                           xFract="0.00865995"
                           y3="2.11688"
                           yFract="0.25081517"
                           z3="6.29675"
                           zFract="0.28338209"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97906"
                           xFract="0.23448578"
                           y3="0.01042"
                           yFract="0.0012346"
                           z3="6.39502"
                           zFract="0.28780468"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.05984"
                           xFract="0.00709005"
                           y3="-0.04637"
                           yFract="-0.00549408"
                           z3="4.27239"
                           zFract="0.19227678"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.12217"
                           xFract="0.01447512"
                           y3="0.07493"
                           yFract="0.00887796"
                           z3="8.4398"
                           zFract="0.37982898"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18798"
                           xFract="0.25923934"
                           y3="2.14758"
                           yFract="0.25445261"
                           z3="4.22089"
                           zFract="0.18995905"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30364"
                           xFract="0.27294313"
                           y3="1.92472"
                           yFract="0.22804739"
                           z3="8.84938"
                           zFract="0.39826193"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.1049"
                           xFract="0.48636256"
                           y3="2.15565"
                           yFract="0.25540877"
                           z3="6.39112"
                           zFract="0.28762916"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49561"
                           xFract="0.76962204"
                           y3="0.02948"
                           yFract="0.00349289"
                           z3="6.43114"
                           zFract="0.28943024"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.14757"
                           xFract="0.49141825"
                           y3="-0.00938"
                           yFract="-0.00111137"
                           z3="4.29165"
                           zFract="0.19314356"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.1239"
                           xFract="0.48861374"
                           y3="-0.11482"
                           yFract="-0.01360427"
                           z3="8.46194"
                           zFract="0.38082538"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25611"
                           xFract="0.74124526"
                           y3="2.0313"
                           yFract="0.24067536"
                           z3="4.20825"
                           zFract="0.18939019"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.21351"
                           xFract="0.73619787"
                           y3="2.07647"
                           yFract="0.24602725"
                           z3="8.81196"
                           zFract="0.39657786"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00583"
                           xFract="0.00069076"
                           y3="6.32597"
                           yFract="0.74952251"
                           z3="6.36646"
                           zFract="0.28651935"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09941"
                           xFract="0.24874526"
                           y3="4.2075"
                           yFract="0.49851896"
                           z3="6.28287"
                           zFract="0.28275743"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.12999"
                           xFract="-0.01540166"
                           y3="4.27889"
                           yFract="0.50697749"
                           z3="4.33222"
                           zFract="0.1949694"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04728"
                           xFract="0.0056019"
                           y3="4.21293"
                           yFract="0.49916232"
                           z3="8.48665"
                           zFract="0.38193744"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1079"
                           xFract="0.24975118"
                           y3="6.27804"
                           yFract="0.7438436"
                           z3="4.20468"
                           zFract="0.18922952"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04614"
                           xFract="0.24243365"
                           y3="6.42444"
                           yFract="0.76118957"
                           z3="8.46975"
                           zFract="0.38117687"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21328"
                           xFract="0.49920379"
                           y3="6.27567"
                           yFract="0.7435628"
                           z3="6.31793"
                           zFract="0.28433528"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31398"
                           xFract="0.7481019"
                           y3="4.20165"
                           yFract="0.49782583"
                           z3="6.50918"
                           zFract="0.29294239"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.32839"
                           xFract="0.51284242"
                           y3="4.21974"
                           yFract="0.49996919"
                           z3="4.23959"
                           zFract="0.19080063"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14246"
                           xFract="0.4908128"
                           y3="4.28914"
                           yFract="0.50819194"
                           z3="8.53112"
                           zFract="0.38393879"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32306"
                           xFract="0.74917773"
                           y3="6.40556"
                           yFract="0.75895261"
                           z3="4.21127"
                           zFract="0.1895261"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39791"
                           xFract="0.75804621"
                           y3="6.36249"
                           yFract="0.75384953"
                           z3="8.59114"
                           zFract="0.38663996"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.50">
                  <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="H"
                           id="a1"
                           x3="2.04365"
                           xFract="0.24213863"
                           y3="2.07499"
                           yFract="0.2458519"
                           z3="9.7739"
                           zFract="0.43986949"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35257"
                           xFract="0.75267417"
                           y3="4.19494"
                           yFract="0.49703081"
                           z3="8.54192"
                           zFract="0.38442484"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13165"
                           xFract="0.25256517"
                           y3="-0.07972"
                           yFract="-0.0094455"
                           z3="8.52894"
                           zFract="0.38384068"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02303"
                           xFract="0.00272867"
                           y3="0.02148"
                           yFract="0.00254502"
                           z3="6.3982"
                           zFract="0.28794779"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10652"
                           xFract="0.24958768"
                           y3="6.31347"
                           yFract="0.74804147"
                           z3="6.35789"
                           zFract="0.28613366"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.0849"
                           xFract="0.24702607"
                           y3="2.11424"
                           yFract="0.25050237"
                           z3="6.27606"
                           zFract="0.28245095"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21682"
                           xFract="0.49962322"
                           y3="6.32419"
                           yFract="0.74931161"
                           z3="4.26148"
                           zFract="0.19178578"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23212"
                           xFract="0.50143602"
                           y3="2.10704"
                           yFract="0.24964929"
                           z3="4.23831"
                           zFract="0.19074302"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18573"
                           xFract="0.49593957"
                           y3="4.22317"
                           yFract="0.50037559"
                           z3="6.39655"
                           zFract="0.28787354"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00468"
                           xFract="0.0005545"
                           y3="4.19833"
                           yFract="0.49743246"
                           z3="6.38409"
                           zFract="0.28731278"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00821"
                           xFract="-0.00097275"
                           y3="6.32877"
                           yFract="0.74985427"
                           z3="4.27022"
                           zFract="0.19217912"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.00164"
                           xFract="-0.00019431"
                           y3="6.34881"
                           yFract="0.75222867"
                           z3="8.41318"
                           zFract="0.37863096"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20301"
                           xFract="0.49798697"
                           y3="-0.00195"
                           yFract="-0.00023104"
                           z3="6.39535"
                           zFract="0.28781953"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00767"
                           xFract="-0.00090877"
                           y3="2.13012"
                           yFract="0.25238389"
                           z3="4.23204"
                           zFract="0.19046085"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.15953"
                           xFract="-0.01890166"
                           y3="2.16203"
                           yFract="0.25616469"
                           z3="8.43749"
                           zFract="0.37972502"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08793"
                           xFract="0.24738507"
                           y3="4.20253"
                           yFract="0.49793009"
                           z3="4.21655"
                           zFract="0.18976373"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33335"
                           xFract="0.75039692"
                           y3="0.01463"
                           yFract="0.00173341"
                           z3="4.23385"
                           zFract="0.1905423"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08206"
                           xFract="0.24668957"
                           y3="4.33526"
                           yFract="0.5136564"
                           z3="8.57126"
                           zFract="0.38574527"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32693"
                           xFract="0.74963626"
                           y3="2.11151"
                           yFract="0.25017891"
                           z3="6.39587"
                           zFract="0.28784293"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.0954"
                           xFract="0.24827014"
                           y3="-0.00124"
                           yFract="-0.00014692"
                           z3="4.22819"
                           zFract="0.19028758"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25726"
                           xFract="0.50441469"
                           y3="6.29667"
                           yFract="0.74605095"
                           z3="8.48609"
                           zFract="0.38191224"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31322"
                           xFract="0.74801185"
                           y3="6.35351"
                           yFract="0.75278555"
                           z3="6.37111"
                           zFract="0.28672862"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33202"
                           xFract="0.75023934"
                           y3="4.17924"
                           yFract="0.49517062"
                           z3="4.27292"
                           zFract="0.19230063"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30979"
                           xFract="0.74760545"
                           y3="0.0366"
                           yFract="0.00433649"
                           z3="8.53842"
                           zFract="0.38426733"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.30241"
                           xFract="0.50976422"
                           y3="2.16788"
                           yFract="0.25685782"
                           z3="8.50009"
                           zFract="0.3825423"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06717"
                           xFract="0.00795853"
                           y3="2.11969"
                           yFract="0.2511481"
                           z3="6.29729"
                           zFract="0.28340639"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97988"
                           xFract="0.23458294"
                           y3="0.01267"
                           yFract="0.00150118"
                           z3="6.40088"
                           zFract="0.28806841"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.06771"
                           xFract="0.00802251"
                           y3="-0.04525"
                           yFract="-0.00536137"
                           z3="4.26884"
                           zFract="0.19211701"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.12225"
                           xFract="0.0144846"
                           y3="0.07329"
                           yFract="0.00868365"
                           z3="8.43989"
                           zFract="0.37983303"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19207"
                           xFract="0.25972393"
                           y3="2.1525"
                           yFract="0.25503555"
                           z3="4.22636"
                           zFract="0.19020522"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.2989"
                           xFract="0.27238152"
                           y3="1.93317"
                           yFract="0.22904858"
                           z3="8.85049"
                           zFract="0.39831188"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.11133"
                           xFract="0.48712441"
                           y3="2.15547"
                           yFract="0.25538744"
                           z3="6.39253"
                           zFract="0.28769262"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49853"
                           xFract="0.76996801"
                           y3="0.03378"
                           yFract="0.00400237"
                           z3="6.43177"
                           zFract="0.2894586"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.14051"
                           xFract="0.49058175"
                           y3="-0.00826"
                           yFract="-0.00097867"
                           z3="4.29823"
                           zFract="0.19343969"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12282"
                           xFract="0.48848578"
                           y3="-0.11145"
                           yFract="-0.01320498"
                           z3="8.4680"
                           zFract="0.38109811"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25492"
                           xFract="0.74110427"
                           y3="2.02986"
                           yFract="0.24050474"
                           z3="4.19245"
                           zFract="0.18867912"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.2080"
                           xFract="0.73554502"
                           y3="2.07641"
                           yFract="0.24602014"
                           z3="8.83975"
                           zFract="0.39782853"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00169"
                           xFract="0.00020024"
                           y3="6.32327"
                           yFract="0.74920261"
                           z3="6.36369"
                           zFract="0.28639469"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09969"
                           xFract="0.24877844"
                           y3="4.20324"
                           yFract="0.49801422"
                           z3="6.28447"
                           zFract="0.28282943"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13485"
                           xFract="-0.01597749"
                           y3="4.2768"
                           yFract="0.50672986"
                           z3="4.33675"
                           zFract="0.19517327"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05075"
                           xFract="0.00601303"
                           y3="4.2125"
                           yFract="0.49911137"
                           z3="8.49092"
                           zFract="0.38212961"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10574"
                           xFract="0.24949526"
                           y3="6.27464"
                           yFract="0.74344076"
                           z3="4.20543"
                           zFract="0.18926328"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0456"
                           xFract="0.24236967"
                           y3="6.42161"
                           yFract="0.76085427"
                           z3="8.47129"
                           zFract="0.38124617"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2126"
                           xFract="0.49912322"
                           y3="6.27604"
                           yFract="0.74360664"
                           z3="6.32002"
                           zFract="0.28442934"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31233"
                           xFract="0.7479064"
                           y3="4.19805"
                           yFract="0.49739929"
                           z3="6.51504"
                           zFract="0.29320612"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33437"
                           xFract="0.51355095"
                           y3="4.22076"
                           yFract="0.50009005"
                           z3="4.24092"
                           zFract="0.19086049"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1449"
                           xFract="0.4911019"
                           y3="4.28844"
                           yFract="0.508109"
                           z3="8.53207"
                           zFract="0.38398155"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32171"
                           xFract="0.74901777"
                           y3="6.41072"
                           yFract="0.75956398"
                           z3="4.21326"
                           zFract="0.18961566"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39257"
                           xFract="0.75741351"
                           y3="6.36767"
                           yFract="0.75446327"
                           z3="8.58576"
                           zFract="0.38639784"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.51">
                  <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="H"
                           id="a1"
                           x3="2.04406"
                           xFract="0.2421872"
                           y3="2.07456"
                           yFract="0.24580095"
                           z3="9.77481"
                           zFract="0.43991044"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35243"
                           xFract="0.75265758"
                           y3="4.19457"
                           yFract="0.49698697"
                           z3="8.54216"
                           zFract="0.38443564"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13155"
                           xFract="0.25255332"
                           y3="-0.07946"
                           yFract="-0.00941469"
                           z3="8.52875"
                           zFract="0.38383213"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02303"
                           xFract="0.00272867"
                           y3="0.02148"
                           yFract="0.00254502"
                           z3="6.3983"
                           zFract="0.2879523"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10645"
                           xFract="0.24957938"
                           y3="6.31331"
                           yFract="0.74802251"
                           z3="6.35792"
                           zFract="0.28613501"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08475"
                           xFract="0.24700829"
                           y3="2.11432"
                           yFract="0.25051185"
                           z3="6.27613"
                           zFract="0.2824541"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21683"
                           xFract="0.49962441"
                           y3="6.32431"
                           yFract="0.74932583"
                           z3="4.26154"
                           zFract="0.19178848"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23224"
                           xFract="0.50145024"
                           y3="2.10706"
                           yFract="0.24965166"
                           z3="4.23835"
                           zFract="0.19074482"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18576"
                           xFract="0.49594313"
                           y3="4.22328"
                           yFract="0.50038863"
                           z3="6.39659"
                           zFract="0.28787534"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0046"
                           xFract="0.00054502"
                           y3="4.19839"
                           yFract="0.49743957"
                           z3="6.38438"
                           zFract="0.28732583"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00842"
                           xFract="-0.00099763"
                           y3="6.32872"
                           yFract="0.74984834"
                           z3="4.27008"
                           zFract="0.19217282"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.0018"
                           xFract="-0.00021327"
                           y3="6.3488"
                           yFract="0.75222749"
                           z3="8.41309"
                           zFract="0.37862691"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20292"
                           xFract="0.4979763"
                           y3="-0.00189"
                           yFract="-0.00022393"
                           z3="6.3957"
                           zFract="0.28783528"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00775"
                           xFract="-0.00091825"
                           y3="2.13011"
                           yFract="0.2523827"
                           z3="4.23193"
                           zFract="0.1904559"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.16033"
                           xFract="-0.01899645"
                           y3="2.16194"
                           yFract="0.25615403"
                           z3="8.43791"
                           zFract="0.37974392"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08795"
                           xFract="0.24738744"
                           y3="4.20257"
                           yFract="0.49793483"
                           z3="4.21666"
                           zFract="0.18976868"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3332"
                           xFract="0.75037915"
                           y3="0.01481"
                           yFract="0.00175474"
                           z3="4.23387"
                           zFract="0.1905432"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08228"
                           xFract="0.24671564"
                           y3="4.3349"
                           yFract="0.51361374"
                           z3="8.57174"
                           zFract="0.38576688"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32757"
                           xFract="0.74971209"
                           y3="2.11168"
                           yFract="0.25019905"
                           z3="6.39555"
                           zFract="0.28782853"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09544"
                           xFract="0.24827488"
                           y3="-0.00124"
                           yFract="-0.00014692"
                           z3="4.22831"
                           zFract="0.19029298"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25717"
                           xFract="0.50440403"
                           y3="6.29668"
                           yFract="0.74605213"
                           z3="8.48636"
                           zFract="0.38192439"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31303"
                           xFract="0.74798934"
                           y3="6.35371"
                           yFract="0.75280924"
                           z3="6.37105"
                           zFract="0.28672592"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33198"
                           xFract="0.7502346"
                           y3="4.17901"
                           yFract="0.49514336"
                           z3="4.27291"
                           zFract="0.19230018"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30958"
                           xFract="0.74758057"
                           y3="0.03686"
                           yFract="0.0043673"
                           z3="8.5386"
                           zFract="0.38427543"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.30285"
                           xFract="0.50981635"
                           y3="2.16761"
                           yFract="0.25682583"
                           z3="8.49995"
                           zFract="0.382536"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06674"
                           xFract="0.00790758"
                           y3="2.11981"
                           yFract="0.25116232"
                           z3="6.29735"
                           zFract="0.28340909"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97988"
                           xFract="0.23458294"
                           y3="0.0128"
                           yFract="0.00151659"
                           z3="6.40132"
                           zFract="0.28808821"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0682"
                           xFract="0.00808057"
                           y3="-0.04514"
                           yFract="-0.00534834"
                           z3="4.26867"
                           zFract="0.19210936"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.12222"
                           xFract="0.01448104"
                           y3="0.07318"
                           yFract="0.00867062"
                           z3="8.43988"
                           zFract="0.37983258"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1923"
                           xFract="0.25975118"
                           y3="2.15287"
                           yFract="0.25507938"
                           z3="4.22668"
                           zFract="0.19021962"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29885"
                           xFract="0.27237559"
                           y3="1.93368"
                           yFract="0.229109"
                           z3="8.84982"
                           zFract="0.39828173"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.11189"
                           xFract="0.48719076"
                           y3="2.15546"
                           yFract="0.25538626"
                           z3="6.39264"
                           zFract="0.28769757"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49864"
                           xFract="0.76998104"
                           y3="0.03415"
                           yFract="0.00404621"
                           z3="6.43178"
                           zFract="0.28945905"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.14002"
                           xFract="0.4905237"
                           y3="-0.00822"
                           yFract="-0.00097393"
                           z3="4.29865"
                           zFract="0.1934586"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12275"
                           xFract="0.48847749"
                           y3="-0.11124"
                           yFract="-0.01318009"
                           z3="8.46838"
                           zFract="0.38111521"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25487"
                           xFract="0.74109834"
                           y3="2.02966"
                           yFract="0.24048104"
                           z3="4.19139"
                           zFract="0.18863141"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.2078"
                           xFract="0.73552133"
                           y3="2.07638"
                           yFract="0.24601659"
                           z3="8.84199"
                           zFract="0.39792934"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00148"
                           xFract="0.00017536"
                           y3="6.32313"
                           yFract="0.74918602"
                           z3="6.36356"
                           zFract="0.28638884"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0997"
                           xFract="0.24877962"
                           y3="4.20304"
                           yFract="0.49799052"
                           z3="6.2846"
                           zFract="0.28283528"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13518"
                           xFract="-0.01601659"
                           y3="4.27665"
                           yFract="0.50671209"
                           z3="4.33701"
                           zFract="0.19518497"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05092"
                           xFract="0.00603318"
                           y3="4.21251"
                           yFract="0.49911256"
                           z3="8.49121"
                           zFract="0.38214266"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10563"
                           xFract="0.24948223"
                           y3="6.27435"
                           yFract="0.7434064"
                           z3="4.2055"
                           zFract="0.18926643"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04559"
                           xFract="0.24236848"
                           y3="6.42136"
                           yFract="0.76082464"
                           z3="8.47137"
                           zFract="0.38124977"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21253"
                           xFract="0.49911493"
                           y3="6.27611"
                           yFract="0.74361493"
                           z3="6.32015"
                           zFract="0.28443519"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31223"
                           xFract="0.74789455"
                           y3="4.19776"
                           yFract="0.49736493"
                           z3="6.51545"
                           zFract="0.29322457"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33475"
                           xFract="0.51359597"
                           y3="4.22088"
                           yFract="0.50010427"
                           z3="4.24103"
                           zFract="0.19086544"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14506"
                           xFract="0.49112085"
                           y3="4.28838"
                           yFract="0.5081019"
                           z3="8.53214"
                           zFract="0.3839847"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32162"
                           xFract="0.74900711"
                           y3="6.41109"
                           yFract="0.75960782"
                           z3="4.21336"
                           zFract="0.18962016"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39228"
                           xFract="0.75737915"
                           y3="6.36798"
                           yFract="0.7545"
                           z3="8.58537"
                           zFract="0.38638029"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.52">
                  <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="H"
                           id="a1"
                           x3="2.04528"
                           xFract="0.24233175"
                           y3="2.07326"
                           yFract="0.24564692"
                           z3="9.77755"
                           zFract="0.44003375"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35202"
                           xFract="0.752609"
                           y3="4.19348"
                           yFract="0.49685782"
                           z3="8.54289"
                           zFract="0.3844685"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13126"
                           xFract="0.25251896"
                           y3="-0.0787"
                           yFract="-0.00932464"
                           z3="8.52816"
                           zFract="0.38380558"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02302"
                           xFract="0.00272749"
                           y3="0.02147"
                           yFract="0.00254384"
                           z3="6.39863"
                           zFract="0.28796715"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10623"
                           xFract="0.24955332"
                           y3="6.31286"
                           yFract="0.74796919"
                           z3="6.35801"
                           zFract="0.28613906"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.0843"
                           xFract="0.24695498"
                           y3="2.11454"
                           yFract="0.25053791"
                           z3="6.27634"
                           zFract="0.28246355"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21684"
                           xFract="0.49962559"
                           y3="6.32466"
                           yFract="0.7493673"
                           z3="4.26173"
                           zFract="0.19179703"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23263"
                           xFract="0.50149645"
                           y3="2.10714"
                           yFract="0.24966114"
                           z3="4.23847"
                           zFract="0.19075023"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18583"
                           xFract="0.49595142"
                           y3="4.22361"
                           yFract="0.50042773"
                           z3="6.39673"
                           zFract="0.28788164"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00438"
                           xFract="0.00051896"
                           y3="4.19858"
                           yFract="0.49746209"
                           z3="6.38525"
                           zFract="0.28736499"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00906"
                           xFract="-0.00107346"
                           y3="6.32856"
                           yFract="0.74982938"
                           z3="4.26968"
                           zFract="0.19215482"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.00228"
                           xFract="-0.00027014"
                           y3="6.3488"
                           yFract="0.75222749"
                           z3="8.41282"
                           zFract="0.37861476"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20264"
                           xFract="0.49794313"
                           y3="-0.00172"
                           yFract="-0.00020379"
                           z3="6.39677"
                           zFract="0.28788344"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.0080"
                           xFract="-0.00094787"
                           y3="2.13007"
                           yFract="0.25237796"
                           z3="4.23158"
                           zFract="0.19044014"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.16274"
                           xFract="-0.01928199"
                           y3="2.16165"
                           yFract="0.25611967"
                           z3="8.43916"
                           zFract="0.37980018"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08802"
                           xFract="0.24739573"
                           y3="4.20268"
                           yFract="0.49794787"
                           z3="4.21699"
                           zFract="0.18978353"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33276"
                           xFract="0.75032701"
                           y3="0.01533"
                           yFract="0.00181635"
                           z3="4.23394"
                           zFract="0.19054635"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08292"
                           xFract="0.24679147"
                           y3="4.33381"
                           yFract="0.5134846"
                           z3="8.57319"
                           zFract="0.38583213"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32948"
                           xFract="0.74993839"
                           y3="2.11219"
                           yFract="0.25025948"
                           z3="6.3946"
                           zFract="0.28778578"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09555"
                           xFract="0.24828791"
                           y3="-0.00124"
                           yFract="-0.00014692"
                           z3="4.22868"
                           zFract="0.19030963"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25692"
                           xFract="0.50437441"
                           y3="6.2967"
                           yFract="0.7460545"
                           z3="8.48718"
                           zFract="0.3819613"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31245"
                           xFract="0.74792062"
                           y3="6.35431"
                           yFract="0.75288033"
                           z3="6.37086"
                           zFract="0.28671737"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33185"
                           xFract="0.75021919"
                           y3="4.17832"
                           yFract="0.49506161"
                           z3="4.27287"
                           zFract="0.19229838"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30896"
                           xFract="0.74750711"
                           y3="0.03762"
                           yFract="0.00445735"
                           z3="8.53914"
                           zFract="0.38429973"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.30419"
                           xFract="0.50997512"
                           y3="2.16677"
                           yFract="0.2567263"
                           z3="8.49952"
                           zFract="0.38251665"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06544"
                           xFract="0.00775355"
                           y3="2.12018"
                           yFract="0.25120616"
                           z3="6.29752"
                           zFract="0.28341674"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97986"
                           xFract="0.23458057"
                           y3="0.01318"
                           yFract="0.00156161"
                           z3="6.40266"
                           zFract="0.28814851"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.06969"
                           xFract="0.00825711"
                           y3="-0.04483"
                           yFract="-0.00531161"
                           z3="4.26813"
                           zFract="0.19208506"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.12213"
                           xFract="0.01447038"
                           y3="0.07285"
                           yFract="0.00863152"
                           z3="8.43982"
                           zFract="0.37982988"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19299"
                           xFract="0.25983294"
                           y3="2.15395"
                           yFract="0.25520735"
                           z3="4.22762"
                           zFract="0.19026193"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29869"
                           xFract="0.27235664"
                           y3="1.93522"
                           yFract="0.22929147"
                           z3="8.84782"
                           zFract="0.39819172"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.11357"
                           xFract="0.48738981"
                           y3="2.15543"
                           yFract="0.2553827"
                           z3="6.39296"
                           zFract="0.28771197"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49898"
                           xFract="0.77002133"
                           y3="0.03526"
                           yFract="0.00417773"
                           z3="6.43183"
                           zFract="0.2894613"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13854"
                           xFract="0.49034834"
                           y3="-0.00809"
                           yFract="-0.00095853"
                           z3="4.29992"
                           zFract="0.19351575"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12255"
                           xFract="0.48845379"
                           y3="-0.11063"
                           yFract="-0.01310782"
                           z3="8.46954"
                           zFract="0.38116742"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25472"
                           xFract="0.74108057"
                           y3="2.02908"
                           yFract="0.24041232"
                           z3="4.18821"
                           zFract="0.1884883"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20719"
                           xFract="0.73544905"
                           y3="2.07631"
                           yFract="0.24600829"
                           z3="8.84872"
                           zFract="0.39823222"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00084"
                           xFract="0.00009953"
                           y3="6.32273"
                           yFract="0.74913863"
                           z3="6.36315"
                           zFract="0.28637039"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09972"
                           xFract="0.24878199"
                           y3="4.20245"
                           yFract="0.49792062"
                           z3="6.28501"
                           zFract="0.28285374"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13617"
                           xFract="-0.01613389"
                           y3="4.27622"
                           yFract="0.50666114"
                           z3="4.3378"
                           zFract="0.19522052"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05144"
                           xFract="0.00609479"
                           y3="4.21253"
                           yFract="0.49911493"
                           z3="8.49207"
                           zFract="0.38218137"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10532"
                           xFract="0.2494455"
                           y3="6.27348"
                           yFract="0.74330332"
                           z3="4.20572"
                           zFract="0.18927633"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04559"
                           xFract="0.24236848"
                           y3="6.4206"
                           yFract="0.7607346"
                           z3="8.4716"
                           zFract="0.38126013"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21231"
                           xFract="0.49908886"
                           y3="6.2763"
                           yFract="0.74363744"
                           z3="6.32056"
                           zFract="0.28445365"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31194"
                           xFract="0.74786019"
                           y3="4.1969"
                           yFract="0.49726303"
                           z3="6.51669"
                           zFract="0.29328038"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33587"
                           xFract="0.51372867"
                           y3="4.22123"
                           yFract="0.50014573"
                           z3="4.24134"
                           zFract="0.19087939"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14553"
                           xFract="0.49117654"
                           y3="4.2882"
                           yFract="0.50808057"
                           z3="8.53235"
                           zFract="0.38399415"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32135"
                           xFract="0.74897512"
                           y3="6.41221"
                           yFract="0.75974052"
                           z3="4.21366"
                           zFract="0.18963366"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39143"
                           xFract="0.75727844"
                           y3="6.36893"
                           yFract="0.75461256"
                           z3="8.58421"
                           zFract="0.38632808"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.53">
                  <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="H"
                           id="a1"
                           x3="2.04774"
                           xFract="0.24262322"
                           y3="2.07066"
                           yFract="0.24533886"
                           z3="9.78301"
                           zFract="0.44027948"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3512"
                           xFract="0.75251185"
                           y3="4.19129"
                           yFract="0.49659834"
                           z3="8.54433"
                           zFract="0.3845333"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13068"
                           xFract="0.25245024"
                           y3="-0.07719"
                           yFract="-0.00914573"
                           z3="8.5270"
                           zFract="0.38375338"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0230"
                           xFract="0.00272512"
                           y3="0.02144"
                           yFract="0.00254028"
                           z3="6.39929"
                           zFract="0.28799685"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10581"
                           xFract="0.24950355"
                           y3="6.31196"
                           yFract="0.74786256"
                           z3="6.35819"
                           zFract="0.28614716"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08341"
                           xFract="0.24684953"
                           y3="2.11499"
                           yFract="0.25059123"
                           z3="6.27676"
                           zFract="0.28248245"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21687"
                           xFract="0.49962915"
                           y3="6.32536"
                           yFract="0.74945024"
                           z3="4.2621"
                           zFract="0.19181368"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23339"
                           xFract="0.50158649"
                           y3="2.1073"
                           yFract="0.24968009"
                           z3="4.23872"
                           zFract="0.19076148"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18599"
                           xFract="0.49597038"
                           y3="4.22428"
                           yFract="0.50050711"
                           z3="6.3970"
                           zFract="0.28789379"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00392"
                           xFract="0.00046445"
                           y3="4.19896"
                           yFract="0.49750711"
                           z3="6.38698"
                           zFract="0.28744284"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.01035"
                           xFract="-0.0012263"
                           y3="6.32824"
                           yFract="0.74979147"
                           z3="4.26887"
                           zFract="0.19211836"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.00325"
                           xFract="-0.00038507"
                           y3="6.34879"
                           yFract="0.7522263"
                           z3="8.41227"
                           zFract="0.37859001"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20208"
                           xFract="0.49787678"
                           y3="-0.00136"
                           yFract="-0.00016114"
                           z3="6.39889"
                           zFract="0.28797885"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00849"
                           xFract="-0.00100592"
                           y3="2.12998"
                           yFract="0.2523673"
                           z3="4.2309"
                           zFract="0.19040954"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.16757"
                           xFract="-0.01985427"
                           y3="2.16108"
                           yFract="0.25605213"
                           z3="8.44166"
                           zFract="0.37991269"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08815"
                           xFract="0.24741114"
                           y3="4.2029"
                           yFract="0.49797393"
                           z3="4.21764"
                           zFract="0.18981278"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33187"
                           xFract="0.75022156"
                           y3="0.01638"
                           yFract="0.00194076"
                           z3="4.23409"
                           zFract="0.19055311"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08419"
                           xFract="0.24694194"
                           y3="4.33163"
                           yFract="0.5132263"
                           z3="8.57609"
                           zFract="0.38596265"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33329"
                           xFract="0.75038981"
                           y3="2.11321"
                           yFract="0.25038033"
                           z3="6.39271"
                           zFract="0.28770072"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09578"
                           xFract="0.24831517"
                           y3="-0.00124"
                           yFract="-0.00014692"
                           z3="4.2294"
                           zFract="0.19034203"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25641"
                           xFract="0.50431398"
                           y3="6.29674"
                           yFract="0.74605924"
                           z3="8.48881"
                           zFract="0.38203465"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31129"
                           xFract="0.74778318"
                           y3="6.35551"
                           yFract="0.75302251"
                           z3="6.3705"
                           zFract="0.28670117"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33158"
                           xFract="0.7501872"
                           y3="4.17695"
                           yFract="0.49489929"
                           z3="4.2728"
                           zFract="0.19229523"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30772"
                           xFract="0.74736019"
                           y3="0.03914"
                           yFract="0.00463744"
                           z3="8.54023"
                           zFract="0.38434878"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.30687"
                           xFract="0.51029265"
                           y3="2.1651"
                           yFract="0.25652844"
                           z3="8.49867"
                           zFract="0.3824784"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06284"
                           xFract="0.0074455"
                           y3="2.1209"
                           yFract="0.25129147"
                           z3="6.29787"
                           zFract="0.28343249"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97984"
                           xFract="0.2345782"
                           y3="0.01394"
                           yFract="0.00165166"
                           z3="6.40533"
                           zFract="0.28826868"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.07266"
                           xFract="0.008609"
                           y3="-0.04419"
                           yFract="-0.00523578"
                           z3="4.26706"
                           zFract="0.1920369"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.12195"
                           xFract="0.01444905"
                           y3="0.07218"
                           yFract="0.00855213"
                           z3="8.43972"
                           zFract="0.37982538"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19437"
                           xFract="0.25999645"
                           y3="2.15612"
                           yFract="0.25546445"
                           z3="4.22951"
                           zFract="0.19034698"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29838"
                           xFract="0.27231991"
                           y3="1.93831"
                           yFract="0.22965758"
                           z3="8.84382"
                           zFract="0.3980117"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.11693"
                           xFract="0.48778791"
                           y3="2.15538"
                           yFract="0.25537678"
                           z3="6.3936"
                           zFract="0.28774077"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49966"
                           xFract="0.7701019"
                           y3="0.03747"
                           yFract="0.00443957"
                           z3="6.43193"
                           zFract="0.2894658"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13559"
                           xFract="0.48999882"
                           y3="-0.00784"
                           yFract="-0.00092891"
                           z3="4.30245"
                           zFract="0.19362961"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12213"
                           xFract="0.48840403"
                           y3="-0.1094"
                           yFract="-0.01296209"
                           z3="8.47184"
                           zFract="0.38127093"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25442"
                           xFract="0.74104502"
                           y3="2.0279"
                           yFract="0.24027251"
                           z3="4.18184"
                           zFract="0.18820162"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20598"
                           xFract="0.73530569"
                           y3="2.07616"
                           yFract="0.24599052"
                           z3="8.86216"
                           zFract="0.39883708"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00042"
                           xFract="-0.00004976"
                           y3="6.32193"
                           yFract="0.74904384"
                           z3="6.36234"
                           zFract="0.28633393"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09976"
                           xFract="0.24878673"
                           y3="4.20125"
                           yFract="0.49777844"
                           z3="6.28582"
                           zFract="0.28289019"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13815"
                           xFract="-0.01636848"
                           y3="4.27535"
                           yFract="0.50655806"
                           z3="4.33936"
                           zFract="0.19529073"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05246"
                           xFract="0.00621564"
                           y3="4.21256"
                           yFract="0.49911848"
                           z3="8.4938"
                           zFract="0.38225923"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10468"
                           xFract="0.24936967"
                           y3="6.27175"
                           yFract="0.74309834"
                           z3="4.20616"
                           zFract="0.18929613"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04557"
                           xFract="0.24236611"
                           y3="6.41908"
                           yFract="0.7605545"
                           z3="8.47205"
                           zFract="0.38128038"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21186"
                           xFract="0.49903555"
                           y3="6.27668"
                           yFract="0.74368246"
                           z3="6.32137"
                           zFract="0.2844901"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31135"
                           xFract="0.74779028"
                           y3="4.19517"
                           yFract="0.49705806"
                           z3="6.51916"
                           zFract="0.29339154"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33811"
                           xFract="0.51399408"
                           y3="4.22193"
                           yFract="0.50022867"
                           z3="4.24197"
                           zFract="0.19090774"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14647"
                           xFract="0.49128791"
                           y3="4.28784"
                           yFract="0.50803791"
                           z3="8.53277"
                           zFract="0.38401305"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32081"
                           xFract="0.74891114"
                           y3="6.41443"
                           yFract="0.76000355"
                           z3="4.21426"
                           zFract="0.18966067"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38974"
                           xFract="0.7570782"
                           y3="6.37083"
                           yFract="0.75483768"
                           z3="8.58188"
                           zFract="0.38622322"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.54">
                  <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="H"
                           id="a1"
                           x3="2.04861"
                           xFract="0.2427263"
                           y3="2.06992"
                           yFract="0.24525118"
                           z3="9.78333"
                           zFract="0.44029388"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.35092"
                           xFract="0.75247867"
                           y3="4.1908"
                           yFract="0.49654028"
                           z3="8.54475"
                           zFract="0.38455221"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.13039"
                           xFract="0.25241588"
                           y3="-0.07693"
                           yFract="-0.00911493"
                           z3="8.52682"
                           zFract="0.38374527"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02321"
                           xFract="0.00275"
                           y3="0.0215"
                           yFract="0.00254739"
                           z3="6.39927"
                           zFract="0.28799595"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10558"
                           xFract="0.2494763"
                           y3="6.31175"
                           yFract="0.74783768"
                           z3="6.35825"
                           zFract="0.28614986"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08337"
                           xFract="0.24684479"
                           y3="2.11514"
                           yFract="0.250609"
                           z3="6.27703"
                           zFract="0.2824946"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21668"
                           xFract="0.49960664"
                           y3="6.32551"
                           yFract="0.74946801"
                           z3="4.26222"
                           zFract="0.19181908"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23342"
                           xFract="0.50159005"
                           y3="2.10733"
                           yFract="0.24968365"
                           z3="4.23878"
                           zFract="0.19076418"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18603"
                           xFract="0.49597512"
                           y3="4.22418"
                           yFract="0.50049526"
                           z3="6.39726"
                           zFract="0.28790549"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00394"
                           xFract="0.00046682"
                           y3="4.19913"
                           yFract="0.49752725"
                           z3="6.38743"
                           zFract="0.2874631"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.01044"
                           xFract="-0.00123697"
                           y3="6.32823"
                           yFract="0.74979028"
                           z3="4.2689"
                           zFract="0.19211971"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.00365"
                           xFract="-0.00043246"
                           y3="6.34868"
                           yFract="0.75221327"
                           z3="8.41225"
                           zFract="0.37858911"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20197"
                           xFract="0.49786374"
                           y3="-0.00135"
                           yFract="-0.00015995"
                           z3="6.39926"
                           zFract="0.2879955"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00852"
                           xFract="-0.00100948"
                           y3="2.12996"
                           yFract="0.25236493"
                           z3="4.23081"
                           zFract="0.19040549"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.16866"
                           xFract="-0.01998341"
                           y3="2.16095"
                           yFract="0.25603673"
                           z3="8.44226"
                           zFract="0.37993969"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08817"
                           xFract="0.24741351"
                           y3="4.20286"
                           yFract="0.49796919"
                           z3="4.21774"
                           zFract="0.18981728"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33177"
                           xFract="0.75020972"
                           y3="0.01685"
                           yFract="0.00199645"
                           z3="4.23406"
                           zFract="0.19055176"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08445"
                           xFract="0.24697275"
                           y3="4.3312"
                           yFract="0.51317536"
                           z3="8.57677"
                           zFract="0.38599325"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33406"
                           xFract="0.75048104"
                           y3="2.11353"
                           yFract="0.25041825"
                           z3="6.39213"
                           zFract="0.28767462"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09593"
                           xFract="0.24833294"
                           y3="-0.00113"
                           yFract="-0.00013389"
                           z3="4.22955"
                           zFract="0.19034878"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25626"
                           xFract="0.50429621"
                           y3="6.29681"
                           yFract="0.74606754"
                           z3="8.48917"
                           zFract="0.38205086"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31108"
                           xFract="0.74775829"
                           y3="6.35569"
                           yFract="0.75304384"
                           z3="6.37066"
                           zFract="0.28670837"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33152"
                           xFract="0.75018009"
                           y3="4.17662"
                           yFract="0.49486019"
                           z3="4.27282"
                           zFract="0.19229613"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30753"
                           xFract="0.74733768"
                           y3="0.03954"
                           yFract="0.00468483"
                           z3="8.54062"
                           zFract="0.38436634"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.30667"
                           xFract="0.51026896"
                           y3="2.16485"
                           yFract="0.25649882"
                           z3="8.49857"
                           zFract="0.3824739"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06221"
                           xFract="0.00737085"
                           y3="2.12083"
                           yFract="0.25128318"
                           z3="6.29802"
                           zFract="0.28343924"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97966"
                           xFract="0.23455687"
                           y3="0.01402"
                           yFract="0.00166114"
                           z3="6.40599"
                           zFract="0.28829838"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.07314"
                           xFract="0.00866588"
                           y3="-0.04397"
                           yFract="-0.00520972"
                           z3="4.2671"
                           zFract="0.1920387"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.12177"
                           xFract="0.01442773"
                           y3="0.07207"
                           yFract="0.0085391"
                           z3="8.43964"
                           zFract="0.37982178"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1945"
                           xFract="0.26001185"
                           y3="2.15665"
                           yFract="0.25552725"
                           z3="4.22972"
                           zFract="0.19035644"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29828"
                           xFract="0.27230806"
                           y3="1.93923"
                           yFract="0.22976659"
                           z3="8.84373"
                           zFract="0.39800765"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.11802"
                           xFract="0.48791706"
                           y3="2.15534"
                           yFract="0.25537204"
                           z3="6.39373"
                           zFract="0.28774662"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.4995"
                           xFract="0.77008294"
                           y3="0.03821"
                           yFract="0.00452725"
                           z3="6.43189"
                           zFract="0.289464"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13494"
                           xFract="0.4899218"
                           y3="-0.0079"
                           yFract="-0.00093602"
                           z3="4.30287"
                           zFract="0.19364851"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12205"
                           xFract="0.48839455"
                           y3="-0.10925"
                           yFract="-0.01294431"
                           z3="8.4722"
                           zFract="0.38128713"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2544"
                           xFract="0.74104265"
                           y3="2.02733"
                           yFract="0.24020498"
                           z3="4.18059"
                           zFract="0.18814536"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.2063"
                           xFract="0.7353436"
                           y3="2.07607"
                           yFract="0.24597986"
                           z3="8.86617"
                           zFract="0.39901755"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00045"
                           xFract="-0.00005332"
                           y3="6.32195"
                           yFract="0.74904621"
                           z3="6.36237"
                           zFract="0.28633528"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09975"
                           xFract="0.24878555"
                           y3="4.2013"
                           yFract="0.49778436"
                           z3="6.28606"
                           zFract="0.28290099"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13856"
                           xFract="-0.01641706"
                           y3="4.27516"
                           yFract="0.50653555"
                           z3="4.33954"
                           zFract="0.19529883"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05243"
                           xFract="0.00621209"
                           y3="4.21266"
                           yFract="0.49913033"
                           z3="8.49414"
                           zFract="0.38227453"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10468"
                           xFract="0.24936967"
                           y3="6.27121"
                           yFract="0.74303436"
                           z3="4.20633"
                           zFract="0.18930378"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04566"
                           xFract="0.24237678"
                           y3="6.41865"
                           yFract="0.76050355"
                           z3="8.47204"
                           zFract="0.38127993"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21169"
                           xFract="0.4990154"
                           y3="6.27689"
                           yFract="0.74370735"
                           z3="6.32151"
                           zFract="0.2844964"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3113"
                           xFract="0.74778436"
                           y3="4.19468"
                           yFract="0.4970"
                           z3="6.51972"
                           zFract="0.29341674"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33843"
                           xFract="0.51403199"
                           y3="4.2222"
                           yFract="0.50026066"
                           z3="4.24217"
                           zFract="0.19091674"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14663"
                           xFract="0.49130687"
                           y3="4.28774"
                           yFract="0.50802607"
                           z3="8.53289"
                           zFract="0.38401845"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32072"
                           xFract="0.74890047"
                           y3="6.41497"
                           yFract="0.76006754"
                           z3="4.21428"
                           zFract="0.18966157"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38965"
                           xFract="0.75706754"
                           y3="6.3711"
                           yFract="0.75486967"
                           z3="8.58134"
                           zFract="0.38619892"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.55">
                  <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="H"
                           id="a1"
                           x3="2.05122"
                           xFract="0.24303555"
                           y3="2.06772"
                           yFract="0.24499052"
                           z3="9.78427"
                           zFract="0.44033618"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3501"
                           xFract="0.75238152"
                           y3="4.18931"
                           yFract="0.49636374"
                           z3="8.5460"
                           zFract="0.38460846"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12952"
                           xFract="0.2523128"
                           y3="-0.07616"
                           yFract="-0.0090237"
                           z3="8.5263"
                           zFract="0.38372187"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02387"
                           xFract="0.0028282"
                           y3="0.02167"
                           yFract="0.00256754"
                           z3="6.39921"
                           zFract="0.28799325"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10489"
                           xFract="0.24939455"
                           y3="6.31111"
                           yFract="0.74776185"
                           z3="6.3584"
                           zFract="0.28615662"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08325"
                           xFract="0.24683057"
                           y3="2.11559"
                           yFract="0.25066232"
                           z3="6.27785"
                           zFract="0.2825315"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21613"
                           xFract="0.49954147"
                           y3="6.32596"
                           yFract="0.74952133"
                           z3="4.26259"
                           zFract="0.19183573"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2335"
                           xFract="0.50159953"
                           y3="2.10741"
                           yFract="0.24969313"
                           z3="4.23897"
                           zFract="0.19077273"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18614"
                           xFract="0.49598815"
                           y3="4.22388"
                           yFract="0.50045972"
                           z3="6.39805"
                           zFract="0.28794104"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0040"
                           xFract="0.00047393"
                           y3="4.19962"
                           yFract="0.49758531"
                           z3="6.3888"
                           zFract="0.28752475"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.01071"
                           xFract="-0.00126896"
                           y3="6.32817"
                           yFract="0.74978318"
                           z3="4.26899"
                           zFract="0.19212376"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.00486"
                           xFract="-0.00057583"
                           y3="6.34836"
                           yFract="0.75217536"
                           z3="8.41219"
                           zFract="0.37858641"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20161"
                           xFract="0.49782109"
                           y3="-0.00131"
                           yFract="-0.00015521"
                           z3="6.40037"
                           zFract="0.28804545"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00861"
                           xFract="-0.00102014"
                           y3="2.12989"
                           yFract="0.25235664"
                           z3="4.23053"
                           zFract="0.19039289"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.17193"
                           xFract="-0.02037085"
                           y3="2.16058"
                           yFract="0.25599289"
                           z3="8.44405"
                           zFract="0.38002025"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08824"
                           xFract="0.2474218"
                           y3="4.20275"
                           yFract="0.49795616"
                           z3="4.21804"
                           zFract="0.18983078"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33146"
                           xFract="0.75017299"
                           y3="0.01824"
                           yFract="0.00216114"
                           z3="4.23396"
                           zFract="0.19054725"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08522"
                           xFract="0.24706398"
                           y3="4.3299"
                           yFract="0.51302133"
                           z3="8.5788"
                           zFract="0.38608461"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33637"
                           xFract="0.75075474"
                           y3="2.11447"
                           yFract="0.25052962"
                           z3="6.39039"
                           zFract="0.28759631"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09639"
                           xFract="0.24838744"
                           y3="-0.00081"
                           yFract="-0.00009597"
                           z3="4.23001"
                           zFract="0.19036949"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25582"
                           xFract="0.50424408"
                           y3="6.2970"
                           yFract="0.74609005"
                           z3="8.49023"
                           zFract="0.38209856"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31046"
                           xFract="0.74768483"
                           y3="6.35622"
                           yFract="0.75310664"
                           z3="6.37113"
                           zFract="0.28672952"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33135"
                           xFract="0.75015995"
                           y3="4.17566"
                           yFract="0.49474645"
                           z3="4.27288"
                           zFract="0.19229883"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30696"
                           xFract="0.74727014"
                           y3="0.04075"
                           yFract="0.0048282"
                           z3="8.54182"
                           zFract="0.38442034"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.30605"
                           xFract="0.5101955"
                           y3="2.16412"
                           yFract="0.25641232"
                           z3="8.49829"
                           zFract="0.3824613"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06032"
                           xFract="0.00714692"
                           y3="2.12061"
                           yFract="0.25125711"
                           z3="6.29848"
                           zFract="0.28345995"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97911"
                           xFract="0.23449171"
                           y3="0.01425"
                           yFract="0.00168839"
                           z3="6.40795"
                           zFract="0.28838659"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.07458"
                           xFract="0.00883649"
                           y3="-0.0433"
                           yFract="-0.00513033"
                           z3="4.2672"
                           zFract="0.1920432"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.12124"
                           xFract="0.01436493"
                           y3="0.07172"
                           yFract="0.00849763"
                           z3="8.43941"
                           zFract="0.37981143"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19488"
                           xFract="0.26005687"
                           y3="2.15822"
                           yFract="0.25571327"
                           z3="4.23036"
                           zFract="0.19038524"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29799"
                           xFract="0.2722737"
                           y3="1.94199"
                           yFract="0.2300936"
                           z3="8.84347"
                           zFract="0.39799595"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.12127"
                           xFract="0.48830213"
                           y3="2.15523"
                           yFract="0.255359"
                           z3="6.39412"
                           zFract="0.28776418"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49904"
                           xFract="0.77002844"
                           y3="0.04041"
                           yFract="0.00478791"
                           z3="6.43176"
                           zFract="0.28945815"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.1330"
                           xFract="0.48969194"
                           y3="-0.00805"
                           yFract="-0.00095379"
                           z3="4.30412"
                           zFract="0.19370477"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12181"
                           xFract="0.48836611"
                           y3="-0.10877"
                           yFract="-0.01288744"
                           z3="8.47329"
                           zFract="0.38133618"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25435"
                           xFract="0.74103673"
                           y3="2.02563"
                           yFract="0.24000355"
                           z3="4.17685"
                           zFract="0.18797705"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20728"
                           xFract="0.73545972"
                           y3="2.07581"
                           yFract="0.24594905"
                           z3="8.87819"
                           zFract="0.39955851"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00054"
                           xFract="-0.00006398"
                           y3="6.32204"
                           yFract="0.74905687"
                           z3="6.36246"
                           zFract="0.28633933"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0997"
                           xFract="0.24877962"
                           y3="4.20143"
                           yFract="0.49779976"
                           z3="6.28681"
                           zFract="0.28293474"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13979"
                           xFract="-0.0165628"
                           y3="4.27461"
                           yFract="0.50647038"
                           z3="4.34008"
                           zFract="0.19532313"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05232"
                           xFract="0.00619905"
                           y3="4.21297"
                           yFract="0.49916706"
                           z3="8.49516"
                           zFract="0.38232043"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10468"
                           xFract="0.24936967"
                           y3="6.2696"
                           yFract="0.7428436"
                           z3="4.20683"
                           zFract="0.18932628"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04591"
                           xFract="0.2424064"
                           y3="6.41733"
                           yFract="0.76034716"
                           z3="8.47203"
                           zFract="0.38127948"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21116"
                           xFract="0.49895261"
                           y3="6.27753"
                           yFract="0.74378318"
                           z3="6.32193"
                           zFract="0.2845153"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31114"
                           xFract="0.7477654"
                           y3="4.19323"
                           yFract="0.4968282"
                           z3="6.52139"
                           zFract="0.2934919"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33939"
                           xFract="0.51414573"
                           y3="4.22302"
                           yFract="0.50035782"
                           z3="4.24277"
                           zFract="0.19094374"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14712"
                           xFract="0.49136493"
                           y3="4.28744"
                           yFract="0.50799052"
                           z3="8.53325"
                           zFract="0.38403465"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32045"
                           xFract="0.74886848"
                           y3="6.41657"
                           yFract="0.76025711"
                           z3="4.21436"
                           zFract="0.18966517"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38937"
                           xFract="0.75703436"
                           y3="6.37192"
                           yFract="0.75496682"
                           z3="8.57972"
                           zFract="0.38612601"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.56">
                  <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="H"
                           id="a1"
                           x3="2.05643"
                           xFract="0.24365284"
                           y3="2.06331"
                           yFract="0.24446801"
                           z3="9.78616"
                           zFract="0.44042124"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34845"
                           xFract="0.75218602"
                           y3="4.18633"
                           yFract="0.49601066"
                           z3="8.54851"
                           zFract="0.38472142"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12779"
                           xFract="0.25210782"
                           y3="-0.07462"
                           yFract="-0.00884123"
                           z3="8.52525"
                           zFract="0.38367462"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02518"
                           xFract="0.00298341"
                           y3="0.02202"
                           yFract="0.002609"
                           z3="6.39908"
                           zFract="0.2879874"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10352"
                           xFract="0.24923223"
                           y3="6.30983"
                           yFract="0.74761019"
                           z3="6.35872"
                           zFract="0.28617102"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.0830"
                           xFract="0.24680095"
                           y3="2.11647"
                           yFract="0.25076659"
                           z3="6.27947"
                           zFract="0.28260441"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21502"
                           xFract="0.49940995"
                           y3="6.32686"
                           yFract="0.74962796"
                           z3="4.26333"
                           zFract="0.19186904"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23367"
                           xFract="0.50161967"
                           y3="2.10757"
                           yFract="0.24971209"
                           z3="4.23934"
                           zFract="0.19078938"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18637"
                           xFract="0.4960154"
                           y3="4.22328"
                           yFract="0.50038863"
                           z3="6.39963"
                           zFract="0.28801215"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00412"
                           xFract="0.00048815"
                           y3="4.20062"
                           yFract="0.49770379"
                           z3="6.39154"
                           zFract="0.28764806"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.01125"
                           xFract="-0.00133294"
                           y3="6.32805"
                           yFract="0.74976896"
                           z3="4.26916"
                           zFract="0.19213141"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.00728"
                           xFract="-0.00086256"
                           y3="6.34773"
                           yFract="0.75210071"
                           z3="8.41207"
                           zFract="0.37858101"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2009"
                           xFract="0.49773697"
                           y3="-0.00123"
                           yFract="-0.00014573"
                           z3="6.40259"
                           zFract="0.28814536"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00878"
                           xFract="-0.00104028"
                           y3="2.12975"
                           yFract="0.25234005"
                           z3="4.22999"
                           zFract="0.19036859"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.17847"
                           xFract="-0.02114573"
                           y3="2.15984"
                           yFract="0.25590521"
                           z3="8.44764"
                           zFract="0.38018182"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08839"
                           xFract="0.24743957"
                           y3="4.20252"
                           yFract="0.49792891"
                           z3="4.21863"
                           zFract="0.18985734"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33084"
                           xFract="0.75009953"
                           y3="0.02104"
                           yFract="0.00249289"
                           z3="4.23377"
                           zFract="0.1905387"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08676"
                           xFract="0.24724645"
                           y3="4.32729"
                           yFract="0.51271209"
                           z3="8.58287"
                           zFract="0.38626778"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.34099"
                           xFract="0.75130213"
                           y3="2.11635"
                           yFract="0.25075237"
                           z3="6.38691"
                           zFract="0.28743969"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09731"
                           xFract="0.24849645"
                           y3="-0.00016"
                           yFract="-0.00001896"
                           z3="4.23091"
                           zFract="0.19040999"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25493"
                           xFract="0.50413863"
                           y3="6.29739"
                           yFract="0.74613626"
                           z3="8.49237"
                           zFract="0.38219487"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30922"
                           xFract="0.74753791"
                           y3="6.35727"
                           yFract="0.75323104"
                           z3="6.37206"
                           zFract="0.28677138"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3310"
                           xFract="0.75011848"
                           y3="4.17374"
                           yFract="0.49451896"
                           z3="4.27301"
                           zFract="0.19230468"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30581"
                           xFract="0.74713389"
                           y3="0.04318"
                           yFract="0.00511611"
                           z3="8.54421"
                           zFract="0.3845279"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.30482"
                           xFract="0.51004976"
                           y3="2.16266"
                           yFract="0.25623934"
                           z3="8.49774"
                           zFract="0.38243654"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.05653"
                           xFract="0.00669787"
                           y3="2.12018"
                           yFract="0.25120616"
                           z3="6.29941"
                           zFract="0.2835018"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97801"
                           xFract="0.23436137"
                           y3="0.01471"
                           yFract="0.00174289"
                           z3="6.41187"
                           zFract="0.28856301"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.07746"
                           xFract="0.00917773"
                           y3="-0.04196"
                           yFract="-0.00497156"
                           z3="4.26741"
                           zFract="0.19205266"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.12016"
                           xFract="0.01423697"
                           y3="0.07102"
                           yFract="0.00841469"
                           z3="8.43894"
                           zFract="0.37979028"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19564"
                           xFract="0.26014692"
                           y3="2.16136"
                           yFract="0.25608531"
                           z3="4.23164"
                           zFract="0.19044284"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29741"
                           xFract="0.27220498"
                           y3="1.94752"
                           yFract="0.23074882"
                           z3="8.84295"
                           zFract="0.39797255"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.12778"
                           xFract="0.48907346"
                           y3="2.15502"
                           yFract="0.25533412"
                           z3="6.39491"
                           zFract="0.28779973"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49811"
                           xFract="0.76991825"
                           y3="0.04481"
                           yFract="0.00530924"
                           z3="6.43151"
                           zFract="0.28944689"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12911"
                           xFract="0.48923104"
                           y3="-0.00837"
                           yFract="-0.00099171"
                           z3="4.30662"
                           zFract="0.19381728"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12131"
                           xFract="0.48830687"
                           y3="-0.10783"
                           yFract="-0.01277607"
                           z3="8.47547"
                           zFract="0.38143429"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25424"
                           xFract="0.7410237"
                           y3="2.02222"
                           yFract="0.23959953"
                           z3="4.16937"
                           zFract="0.18764041"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20924"
                           xFract="0.73569194"
                           y3="2.07529"
                           yFract="0.24588744"
                           z3="8.90222"
                           zFract="0.40063996"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00073"
                           xFract="-0.00008649"
                           y3="6.3222"
                           yFract="0.74907583"
                           z3="6.36265"
                           zFract="0.28634788"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0996"
                           xFract="0.24876777"
                           y3="4.2017"
                           yFract="0.49783175"
                           z3="6.2883"
                           zFract="0.2830018"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14226"
                           xFract="-0.01685545"
                           y3="4.27349"
                           yFract="0.50633768"
                           z3="4.34117"
                           zFract="0.19537219"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05211"
                           xFract="0.00617417"
                           y3="4.21358"
                           yFract="0.49923934"
                           z3="8.49719"
                           zFract="0.38241179"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10467"
                           xFract="0.24936848"
                           y3="6.26636"
                           yFract="0.74245972"
                           z3="4.20784"
                           zFract="0.18937174"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04643"
                           xFract="0.24246801"
                           y3="6.41469"
                           yFract="0.76003436"
                           z3="8.47201"
                           zFract="0.38127858"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21012"
                           xFract="0.49882938"
                           y3="6.27879"
                           yFract="0.74393246"
                           z3="6.32277"
                           zFract="0.28455311"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31083"
                           xFract="0.74772867"
                           y3="4.19033"
                           yFract="0.4964846"
                           z3="6.52474"
                           zFract="0.29364266"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.34132"
                           xFract="0.51437441"
                           y3="4.22467"
                           yFract="0.50055332"
                           z3="4.24397"
                           zFract="0.19099775"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1481"
                           xFract="0.49148104"
                           y3="4.28684"
                           yFract="0.50791943"
                           z3="8.53397"
                           zFract="0.38406706"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3199"
                           xFract="0.74880332"
                           y3="6.41977"
                           yFract="0.76063626"
                           z3="4.2145"
                           zFract="0.18967147"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38882"
                           xFract="0.75696919"
                           y3="6.37357"
                           yFract="0.75516232"
                           z3="8.57648"
                           zFract="0.3859802"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.57">
                  <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="H"
                           id="a1"
                           x3="2.06685"
                           xFract="0.24488744"
                           y3="2.05449"
                           yFract="0.24342299"
                           z3="9.78994"
                           zFract="0.44059136"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34516"
                           xFract="0.75179621"
                           y3="4.18038"
                           yFract="0.49530569"
                           z3="8.55351"
                           zFract="0.38494644"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12433"
                           xFract="0.25169787"
                           y3="-0.07155"
                           yFract="-0.00847749"
                           z3="8.52315"
                           zFract="0.38358011"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0278"
                           xFract="0.00329384"
                           y3="0.02271"
                           yFract="0.00269076"
                           z3="6.39884"
                           zFract="0.2879766"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10077"
                           xFract="0.2489064"
                           y3="6.30728"
                           yFract="0.74730806"
                           z3="6.35935"
                           zFract="0.28619937"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08252"
                           xFract="0.24674408"
                           y3="2.11825"
                           yFract="0.25097749"
                           z3="6.28273"
                           zFract="0.28275113"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21281"
                           xFract="0.4991481"
                           y3="6.32865"
                           yFract="0.74984005"
                           z3="4.26482"
                           zFract="0.19193609"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2340"
                           xFract="0.50165877"
                           y3="2.1079"
                           yFract="0.24975118"
                           z3="4.24009"
                           zFract="0.19082313"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18683"
                           xFract="0.49606991"
                           y3="4.22208"
                           yFract="0.50024645"
                           z3="6.40277"
                           zFract="0.28815347"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00436"
                           xFract="0.00051659"
                           y3="4.2026"
                           yFract="0.49793839"
                           z3="6.39701"
                           zFract="0.28789424"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.01233"
                           xFract="-0.0014609"
                           y3="6.32782"
                           yFract="0.74974171"
                           z3="4.26952"
                           zFract="0.19214761"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01213"
                           xFract="-0.0014372"
                           y3="6.34645"
                           yFract="0.75194905"
                           z3="8.41184"
                           zFract="0.37857066"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.19949"
                           xFract="0.49756991"
                           y3="-0.00107"
                           yFract="-0.00012678"
                           z3="6.40702"
                           zFract="0.28834473"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00914"
                           xFract="-0.00108294"
                           y3="2.12946"
                           yFract="0.25230569"
                           z3="4.22889"
                           zFract="0.19031908"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.19155"
                           xFract="-0.0226955"
                           y3="2.15836"
                           yFract="0.25572986"
                           z3="8.45481"
                           zFract="0.3805045"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08868"
                           xFract="0.24747393"
                           y3="4.20206"
                           yFract="0.49787441"
                           z3="4.21982"
                           zFract="0.18991089"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.32961"
                           xFract="0.74995379"
                           y3="0.02663"
                           yFract="0.00315521"
                           z3="4.23339"
                           zFract="0.1905216"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08984"
                           xFract="0.24761137"
                           y3="4.32209"
                           yFract="0.51209597"
                           z3="8.59101"
                           zFract="0.38663411"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.35022"
                           xFract="0.75239573"
                           y3="2.12011"
                           yFract="0.25119787"
                           z3="6.37994"
                           zFract="0.28712601"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09914"
                           xFract="0.24871327"
                           y3="0.00114"
                           yFract="0.00013507"
                           z3="4.23272"
                           zFract="0.19049145"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25316"
                           xFract="0.50392891"
                           y3="6.29817"
                           yFract="0.74622867"
                           z3="8.49665"
                           zFract="0.38238749"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30674"
                           xFract="0.74724408"
                           y3="6.35939"
                           yFract="0.75348223"
                           z3="6.37393"
                           zFract="0.28685554"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3303"
                           xFract="0.75003555"
                           y3="4.16989"
                           yFract="0.4940628"
                           z3="4.27326"
                           zFract="0.19231593"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30352"
                           xFract="0.74686256"
                           y3="0.04803"
                           yFract="0.00569076"
                           z3="8.54899"
                           zFract="0.38474302"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.30236"
                           xFract="0.50975829"
                           y3="2.15974"
                           yFract="0.25589336"
                           z3="8.49662"
                           zFract="0.38238614"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.04896"
                           xFract="0.00580095"
                           y3="2.11931"
                           yFract="0.25110308"
                           z3="6.30127"
                           zFract="0.28358551"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97581"
                           xFract="0.23410071"
                           y3="0.01563"
                           yFract="0.0018519"
                           z3="6.41972"
                           zFract="0.28891629"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.08323"
                           xFract="0.00986137"
                           y3="-0.03928"
                           yFract="-0.00465403"
                           z3="4.26783"
                           zFract="0.19207156"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11801"
                           xFract="0.01398223"
                           y3="0.06962"
                           yFract="0.00824882"
                           z3="8.4380"
                           zFract="0.37974797"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19715"
                           xFract="0.26032583"
                           y3="2.16764"
                           yFract="0.25682938"
                           z3="4.23419"
                           zFract="0.19055761"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29625"
                           xFract="0.27206754"
                           y3="1.95858"
                           yFract="0.23205924"
                           z3="8.84191"
                           zFract="0.39792574"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.1408"
                           xFract="0.49061611"
                           y3="2.15459"
                           yFract="0.25528318"
                           z3="6.39648"
                           zFract="0.28787039"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49625"
                           xFract="0.76969787"
                           y3="0.05362"
                           yFract="0.00635308"
                           z3="6.43101"
                           zFract="0.28942439"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12133"
                           xFract="0.48830924"
                           y3="-0.0090"
                           yFract="-0.00106635"
                           z3="4.31163"
                           zFract="0.19404275"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12033"
                           xFract="0.48819076"
                           y3="-0.10593"
                           yFract="-0.01255095"
                           z3="8.47982"
                           zFract="0.38163006"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25402"
                           xFract="0.74099763"
                           y3="2.0154"
                           yFract="0.23879147"
                           z3="4.1544"
                           zFract="0.1869667"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.21315"
                           xFract="0.73615521"
                           y3="2.07425"
                           yFract="0.24576422"
                           z3="8.95028"
                           zFract="0.40280288"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00109"
                           xFract="-0.00012915"
                           y3="6.32254"
                           yFract="0.74911611"
                           z3="6.36302"
                           zFract="0.28636454"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09941"
                           xFract="0.24874526"
                           y3="4.20223"
                           yFract="0.49789455"
                           z3="6.29129"
                           zFract="0.28313636"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14719"
                           xFract="-0.01743957"
                           y3="4.27125"
                           yFract="0.50607227"
                           z3="4.34335"
                           zFract="0.1954703"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05168"
                           xFract="0.00612322"
                           y3="4.21479"
                           yFract="0.4993827"
                           z3="8.50126"
                           zFract="0.38259496"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10466"
                           xFract="0.2493673"
                           y3="6.25989"
                           yFract="0.74169313"
                           z3="4.20986"
                           zFract="0.18946265"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04745"
                           xFract="0.24258886"
                           y3="6.40942"
                           yFract="0.75940995"
                           z3="8.47197"
                           zFract="0.38127678"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20802"
                           xFract="0.49858057"
                           y3="6.28132"
                           yFract="0.74423223"
                           z3="6.32444"
                           zFract="0.28462826"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31021"
                           xFract="0.74765521"
                           y3="4.18453"
                           yFract="0.49579739"
                           z3="6.53145"
                           zFract="0.29394464"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.34518"
                           xFract="0.51483175"
                           y3="4.22796"
                           yFract="0.50094313"
                           z3="4.24637"
                           zFract="0.19110576"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15006"
                           xFract="0.49171327"
                           y3="4.28564"
                           yFract="0.50777725"
                           z3="8.53541"
                           zFract="0.38413186"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3188"
                           xFract="0.74867299"
                           y3="6.42618"
                           yFract="0.76139573"
                           z3="4.2148"
                           zFract="0.18968497"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38772"
                           xFract="0.75683886"
                           y3="6.37686"
                           yFract="0.75555213"
                           z3="8.56999"
                           zFract="0.38568812"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.58">
                  <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="H"
                           id="a1"
                           x3="2.06271"
                           xFract="0.24439692"
                           y3="2.05799"
                           yFract="0.24383768"
                           z3="9.78844"
                           zFract="0.44052385"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34647"
                           xFract="0.75195142"
                           y3="4.18274"
                           yFract="0.49558531"
                           z3="8.55152"
                           zFract="0.38485689"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12571"
                           xFract="0.25186137"
                           y3="-0.07277"
                           yFract="-0.00862204"
                           z3="8.52398"
                           zFract="0.38361746"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02676"
                           xFract="0.00317062"
                           y3="0.02243"
                           yFract="0.00265758"
                           z3="6.39894"
                           zFract="0.2879811"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10187"
                           xFract="0.24903673"
                           y3="6.30829"
                           yFract="0.74742773"
                           z3="6.3591"
                           zFract="0.28618812"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08271"
                           xFract="0.24676659"
                           y3="2.11755"
                           yFract="0.25089455"
                           z3="6.28144"
                           zFract="0.28269307"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21369"
                           xFract="0.49925237"
                           y3="6.32794"
                           yFract="0.74975592"
                           z3="4.26423"
                           zFract="0.19190954"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23387"
                           xFract="0.50164336"
                           y3="2.10777"
                           yFract="0.24973578"
                           z3="4.23979"
                           zFract="0.19080963"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18665"
                           xFract="0.49604858"
                           y3="4.22256"
                           yFract="0.50030332"
                           z3="6.40152"
                           zFract="0.28809721"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00426"
                           xFract="0.00050474"
                           y3="4.20181"
                           yFract="0.49784479"
                           z3="6.39484"
                           zFract="0.28779658"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.0119"
                           xFract="-0.00140995"
                           y3="6.32792"
                           yFract="0.74975355"
                           z3="4.26938"
                           zFract="0.19214131"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.0102"
                           xFract="-0.00120853"
                           y3="6.34696"
                           yFract="0.75200948"
                           z3="8.41193"
                           zFract="0.37857471"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20005"
                           xFract="0.49763626"
                           y3="-0.00113"
                           yFract="-0.00013389"
                           z3="6.40526"
                           zFract="0.28826553"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.0090"
                           xFract="-0.00106635"
                           y3="2.12957"
                           yFract="0.25231872"
                           z3="4.22932"
                           zFract="0.19033843"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.18635"
                           xFract="-0.02207938"
                           y3="2.15895"
                           yFract="0.25579976"
                           z3="8.45196"
                           zFract="0.38037624"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08857"
                           xFract="0.2474609"
                           y3="4.20224"
                           yFract="0.49789573"
                           z3="4.21934"
                           zFract="0.18988929"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3301"
                           xFract="0.75001185"
                           y3="0.0244"
                           yFract="0.002891"
                           z3="4.23354"
                           zFract="0.19052835"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08861"
                           xFract="0.24746564"
                           y3="4.32416"
                           yFract="0.51234123"
                           z3="8.58778"
                           zFract="0.38648875"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.34655"
                           xFract="0.7519609"
                           y3="2.11862"
                           yFract="0.25102133"
                           z3="6.38271"
                           zFract="0.28725068"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09841"
                           xFract="0.24862678"
                           y3="0.00062"
                           yFract="0.00007346"
                           z3="4.2320"
                           zFract="0.19045905"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25386"
                           xFract="0.50401185"
                           y3="6.29786"
                           yFract="0.74619194"
                           z3="8.49495"
                           zFract="0.38231098"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30773"
                           xFract="0.74736137"
                           y3="6.35855"
                           yFract="0.7533827"
                           z3="6.37319"
                           zFract="0.28682223"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33058"
                           xFract="0.75006872"
                           y3="4.17142"
                           yFract="0.49424408"
                           z3="4.27316"
                           zFract="0.19231143"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30443"
                           xFract="0.74697038"
                           y3="0.0461"
                           yFract="0.00546209"
                           z3="8.54709"
                           zFract="0.38465752"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.30334"
                           xFract="0.50987441"
                           y3="2.1609"
                           yFract="0.25603081"
                           z3="8.49706"
                           zFract="0.38240594"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.05197"
                           xFract="0.00615758"
                           y3="2.11965"
                           yFract="0.25114336"
                           z3="6.30053"
                           zFract="0.28355221"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97668"
                           xFract="0.23420379"
                           y3="0.01526"
                           yFract="0.00180806"
                           z3="6.4166"
                           zFract="0.28877588"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.08094"
                           xFract="0.00959005"
                           y3="-0.04035"
                           yFract="-0.00478081"
                           z3="4.26766"
                           zFract="0.19206391"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11887"
                           xFract="0.01408412"
                           y3="0.07018"
                           yFract="0.00831517"
                           z3="8.43837"
                           zFract="0.37976463"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19655"
                           xFract="0.26025474"
                           y3="2.16514"
                           yFract="0.25653318"
                           z3="4.23318"
                           zFract="0.19051215"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29671"
                           xFract="0.27212204"
                           y3="1.95419"
                           yFract="0.2315391"
                           z3="8.84233"
                           zFract="0.39794464"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.13563"
                           xFract="0.49000355"
                           y3="2.15476"
                           yFract="0.25530332"
                           z3="6.39586"
                           zFract="0.28784248"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49699"
                           xFract="0.76978555"
                           y3="0.05012"
                           yFract="0.00593839"
                           z3="6.43121"
                           zFract="0.28943339"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12442"
                           xFract="0.48867536"
                           y3="-0.00875"
                           yFract="-0.00103673"
                           z3="4.30964"
                           zFract="0.1939532"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12072"
                           xFract="0.48823697"
                           y3="-0.10669"
                           yFract="-0.012641"
                           z3="8.47809"
                           zFract="0.38155221"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25411"
                           xFract="0.74100829"
                           y3="2.01811"
                           yFract="0.23911256"
                           z3="4.16035"
                           zFract="0.18723447"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.21159"
                           xFract="0.73597038"
                           y3="2.07467"
                           yFract="0.24581398"
                           z3="8.93118"
                           zFract="0.40194329"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00094"
                           xFract="-0.00011137"
                           y3="6.3224"
                           yFract="0.74909953"
                           z3="6.36287"
                           zFract="0.28635779"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09949"
                           xFract="0.24875474"
                           y3="4.20202"
                           yFract="0.49786967"
                           z3="6.2901"
                           zFract="0.28308281"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14523"
                           xFract="-0.01720735"
                           y3="4.27214"
                           yFract="0.50617773"
                           z3="4.34248"
                           zFract="0.19543114"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05185"
                           xFract="0.00614336"
                           y3="4.21431"
                           yFract="0.49932583"
                           z3="8.49965"
                           zFract="0.3825225"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10466"
                           xFract="0.2493673"
                           y3="6.26246"
                           yFract="0.74199763"
                           z3="4.20906"
                           zFract="0.18942664"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04704"
                           xFract="0.24254028"
                           y3="6.41151"
                           yFract="0.75965758"
                           z3="8.47198"
                           zFract="0.38127723"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20885"
                           xFract="0.49867891"
                           y3="6.28031"
                           yFract="0.74411256"
                           z3="6.32378"
                           zFract="0.28459856"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31046"
                           xFract="0.74768483"
                           y3="4.18684"
                           yFract="0.49607109"
                           z3="6.52878"
                           zFract="0.29382448"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.34364"
                           xFract="0.51464929"
                           y3="4.22666"
                           yFract="0.5007891"
                           z3="4.24542"
                           zFract="0.19106301"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14928"
                           xFract="0.49162085"
                           y3="4.28612"
                           yFract="0.50783412"
                           z3="8.53484"
                           zFract="0.38410621"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.31923"
                           xFract="0.74872393"
                           y3="6.42363"
                           yFract="0.7610936"
                           z3="4.21468"
                           zFract="0.18967957"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38816"
                           xFract="0.756891"
                           y3="6.37555"
                           yFract="0.75539692"
                           z3="8.57257"
                           zFract="0.38580423"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.59">
                  <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="H"
                           id="a1"
                           x3="2.06501"
                           xFract="0.24466943"
                           y3="2.05666"
                           yFract="0.24368009"
                           z3="9.78581"
                           zFract="0.44040549"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34578"
                           xFract="0.75186967"
                           y3="4.18095"
                           yFract="0.49537322"
                           z3="8.55299"
                           zFract="0.38492304"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12508"
                           xFract="0.25178673"
                           y3="-0.07431"
                           yFract="-0.0088045"
                           z3="8.52407"
                           zFract="0.38362151"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02558"
                           xFract="0.00303081"
                           y3="0.02261"
                           yFract="0.00267891"
                           z3="6.39869"
                           zFract="0.28796985"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10171"
                           xFract="0.24901777"
                           y3="6.30823"
                           yFract="0.74742062"
                           z3="6.35969"
                           zFract="0.28621467"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08337"
                           xFract="0.24684479"
                           y3="2.11799"
                           yFract="0.25094668"
                           z3="6.28217"
                           zFract="0.28272592"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21324"
                           xFract="0.49919905"
                           y3="6.32785"
                           yFract="0.74974526"
                           z3="4.26468"
                           zFract="0.19192979"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23343"
                           xFract="0.50159123"
                           y3="2.1078"
                           yFract="0.24973934"
                           z3="4.23947"
                           zFract="0.19079523"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.1869"
                           xFract="0.4960782"
                           y3="4.22251"
                           yFract="0.50029739"
                           z3="6.40252"
                           zFract="0.28814221"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00469"
                           xFract="0.00055569"
                           y3="4.20208"
                           yFract="0.49787678"
                           z3="6.39541"
                           zFract="0.28782223"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.0114"
                           xFract="-0.00135071"
                           y3="6.32824"
                           yFract="0.74979147"
                           z3="4.27034"
                           zFract="0.19218452"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01031"
                           xFract="-0.00122156"
                           y3="6.34651"
                           yFract="0.75195616"
                           z3="8.41275"
                           zFract="0.37861161"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20011"
                           xFract="0.49764336"
                           y3="-0.00187"
                           yFract="-0.00022156"
                           z3="6.40511"
                           zFract="0.28825878"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00868"
                           xFract="-0.00102844"
                           y3="2.12968"
                           yFract="0.25233175"
                           z3="4.22953"
                           zFract="0.19034788"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.18876"
                           xFract="-0.02236493"
                           y3="2.15891"
                           yFract="0.25579502"
                           z3="8.4530"
                           zFract="0.38042304"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08856"
                           xFract="0.24745972"
                           y3="4.20197"
                           yFract="0.49786374"
                           z3="4.21919"
                           zFract="0.18988254"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3304"
                           xFract="0.75004739"
                           y3="0.02404"
                           yFract="0.00284834"
                           z3="4.23317"
                           zFract="0.1905117"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08811"
                           xFract="0.2474064"
                           y3="4.32433"
                           yFract="0.51236137"
                           z3="8.58891"
                           zFract="0.3865396"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3470"
                           xFract="0.75201422"
                           y3="2.11935"
                           yFract="0.25110782"
                           z3="6.38185"
                           zFract="0.28721197"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09834"
                           xFract="0.24861848"
                           y3="0.00124"
                           yFract="0.00014692"
                           z3="4.23194"
                           zFract="0.19045635"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25333"
                           xFract="0.50394905"
                           y3="6.29819"
                           yFract="0.74623104"
                           z3="8.49501"
                           zFract="0.38231368"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30769"
                           xFract="0.74735664"
                           y3="6.35889"
                           yFract="0.75342299"
                           z3="6.37396"
                           zFract="0.28685689"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33044"
                           xFract="0.75005213"
                           y3="4.17128"
                           yFract="0.49422749"
                           z3="4.2733"
                           zFract="0.19231773"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30465"
                           xFract="0.74699645"
                           y3="0.04785"
                           yFract="0.00566943"
                           z3="8.54832"
                           zFract="0.38471287"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.30561"
                           xFract="0.51014336"
                           y3="2.16087"
                           yFract="0.25602725"
                           z3="8.4985"
                           zFract="0.38247075"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.05219"
                           xFract="0.00618365"
                           y3="2.11927"
                           yFract="0.25109834"
                           z3="6.3011"
                           zFract="0.28357786"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97661"
                           xFract="0.2341955"
                           y3="0.01576"
                           yFract="0.0018673"
                           z3="6.4171"
                           zFract="0.28879838"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.08145"
                           xFract="0.00965047"
                           y3="-0.03996"
                           yFract="-0.0047346"
                           z3="4.26918"
                           zFract="0.19213231"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11791"
                           xFract="0.01397038"
                           y3="0.07024"
                           yFract="0.00832227"
                           z3="8.43804"
                           zFract="0.37974977"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19616"
                           xFract="0.26020853"
                           y3="2.16565"
                           yFract="0.2565936"
                           z3="4.23393"
                           zFract="0.1905459"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.2957"
                           xFract="0.27200237"
                           y3="1.95615"
                           yFract="0.23177133"
                           z3="8.84537"
                           zFract="0.39808146"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.13728"
                           xFract="0.49019905"
                           y3="2.15466"
                           yFract="0.25529147"
                           z3="6.39613"
                           zFract="0.28785464"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49613"
                           xFract="0.76968365"
                           y3="0.0518"
                           yFract="0.00613744"
                           z3="6.43102"
                           zFract="0.28942484"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12381"
                           xFract="0.48860308"
                           y3="-0.00885"
                           yFract="-0.00104858"
                           z3="4.30925"
                           zFract="0.19393564"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12053"
                           xFract="0.48821445"
                           y3="-0.10646"
                           yFract="-0.01261374"
                           z3="8.47792"
                           zFract="0.38154455"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25364"
                           xFract="0.74095261"
                           y3="2.01757"
                           yFract="0.23904858"
                           z3="4.16041"
                           zFract="0.18723717"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.21059"
                           xFract="0.7358519"
                           y3="2.07473"
                           yFract="0.24582109"
                           z3="8.94122"
                           zFract="0.40239514"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00042"
                           xFract="-0.00004976"
                           y3="6.32316"
                           yFract="0.74918957"
                           z3="6.36356"
                           zFract="0.28638884"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09955"
                           xFract="0.24876185"
                           y3="4.20211"
                           yFract="0.49788033"
                           z3="6.29084"
                           zFract="0.28311611"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14571"
                           xFract="-0.01726422"
                           y3="4.27198"
                           yFract="0.50615877"
                           z3="4.34249"
                           zFract="0.19543159"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05061"
                           xFract="0.00599645"
                           y3="4.21467"
                           yFract="0.49936848"
                           z3="8.5000"
                           zFract="0.38253825"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10463"
                           xFract="0.24936374"
                           y3="6.26151"
                           yFract="0.74188507"
                           z3="4.20929"
                           zFract="0.18943699"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04695"
                           xFract="0.24252962"
                           y3="6.41089"
                           yFract="0.75958412"
                           z3="8.47187"
                           zFract="0.38127228"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2086"
                           xFract="0.49864929"
                           y3="6.28053"
                           yFract="0.74413863"
                           z3="6.32414"
                           zFract="0.28461476"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31091"
                           xFract="0.74773815"
                           y3="4.1860"
                           yFract="0.49597156"
                           z3="6.52959"
                           zFract="0.29386094"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3435"
                           xFract="0.5146327"
                           y3="4.22671"
                           yFract="0.50079502"
                           z3="4.24615"
                           zFract="0.19109586"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14952"
                           xFract="0.49164929"
                           y3="4.28578"
                           yFract="0.50779384"
                           z3="8.5353"
                           zFract="0.38412691"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.31943"
                           xFract="0.74874763"
                           y3="6.42473"
                           yFract="0.76122393"
                           z3="4.21504"
                           zFract="0.18969577"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38822"
                           xFract="0.7568981"
                           y3="6.3753"
                           yFract="0.7553673"
                           z3="8.57188"
                           zFract="0.38577318"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.60">
                  <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="H"
                           id="a1"
                           x3="2.06661"
                           xFract="0.244859"
                           y3="2.05574"
                           yFract="0.24357109"
                           z3="9.78399"
                           zFract="0.44032358"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34531"
                           xFract="0.75181398"
                           y3="4.17971"
                           yFract="0.4952263"
                           z3="8.55401"
                           zFract="0.38496895"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12465"
                           xFract="0.25173578"
                           y3="-0.07538"
                           yFract="-0.00893128"
                           z3="8.52414"
                           zFract="0.38362466"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02477"
                           xFract="0.00293483"
                           y3="0.02274"
                           yFract="0.00269431"
                           z3="6.39852"
                           zFract="0.2879622"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.1016"
                           xFract="0.24900474"
                           y3="6.30819"
                           yFract="0.74741588"
                           z3="6.36011"
                           zFract="0.28623357"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08384"
                           xFract="0.24690047"
                           y3="2.1183"
                           yFract="0.25098341"
                           z3="6.28268"
                           zFract="0.28274887"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21293"
                           xFract="0.49916232"
                           y3="6.3278"
                           yFract="0.74973934"
                           z3="4.26499"
                           zFract="0.19194374"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23313"
                           xFract="0.50155569"
                           y3="2.10782"
                           yFract="0.24974171"
                           z3="4.23924"
                           zFract="0.19078488"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18707"
                           xFract="0.49609834"
                           y3="4.22248"
                           yFract="0.50029384"
                           z3="6.40321"
                           zFract="0.28817327"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00499"
                           xFract="0.00059123"
                           y3="4.20227"
                           yFract="0.49789929"
                           z3="6.3958"
                           zFract="0.28783978"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.01106"
                           xFract="-0.00131043"
                           y3="6.32846"
                           yFract="0.74981754"
                           z3="4.27101"
                           zFract="0.19221467"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01038"
                           xFract="-0.00122986"
                           y3="6.3462"
                           yFract="0.75191943"
                           z3="8.41332"
                           zFract="0.37863726"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20015"
                           xFract="0.4976481"
                           y3="-0.00237"
                           yFract="-0.00028081"
                           z3="6.40501"
                           zFract="0.28825428"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00845"
                           xFract="-0.00100118"
                           y3="2.12976"
                           yFract="0.25234123"
                           z3="4.22967"
                           zFract="0.19035419"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.19043"
                           xFract="-0.0225628"
                           y3="2.15888"
                           yFract="0.25579147"
                           z3="8.45372"
                           zFract="0.38045545"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08855"
                           xFract="0.24745853"
                           y3="4.20179"
                           yFract="0.49784242"
                           z3="4.21908"
                           zFract="0.18987759"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33061"
                           xFract="0.75007227"
                           y3="0.02379"
                           yFract="0.00281872"
                           z3="4.23291"
                           zFract="0.1905"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08777"
                           xFract="0.24736611"
                           y3="4.32445"
                           yFract="0.51237559"
                           z3="8.5897"
                           zFract="0.38657516"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.34731"
                           xFract="0.75205095"
                           y3="2.11986"
                           yFract="0.25116825"
                           z3="6.38125"
                           zFract="0.28718497"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09829"
                           xFract="0.24861256"
                           y3="0.00167"
                           yFract="0.00019787"
                           z3="4.2319"
                           zFract="0.19045455"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25296"
                           xFract="0.50390521"
                           y3="6.29842"
                           yFract="0.74625829"
                           z3="8.49506"
                           zFract="0.38231593"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30766"
                           xFract="0.74735308"
                           y3="6.35912"
                           yFract="0.75345024"
                           z3="6.3745"
                           zFract="0.28688119"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33034"
                           xFract="0.75004028"
                           y3="4.17118"
                           yFract="0.49421564"
                           z3="4.27339"
                           zFract="0.19232178"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3048"
                           xFract="0.74701422"
                           y3="0.04907"
                           yFract="0.00581398"
                           z3="8.54918"
                           zFract="0.38475158"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.30719"
                           xFract="0.51033057"
                           y3="2.16084"
                           yFract="0.2560237"
                           z3="8.4995"
                           zFract="0.38251575"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.05235"
                           xFract="0.00620261"
                           y3="2.11901"
                           yFract="0.25106754"
                           z3="6.30149"
                           zFract="0.28359541"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97655"
                           xFract="0.23418839"
                           y3="0.01611"
                           yFract="0.00190877"
                           z3="6.41744"
                           zFract="0.28881368"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.08181"
                           xFract="0.00969313"
                           y3="-0.03969"
                           yFract="-0.00470261"
                           z3="4.27024"
                           zFract="0.19218002"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11725"
                           xFract="0.01389218"
                           y3="0.07028"
                           yFract="0.00832701"
                           z3="8.43782"
                           zFract="0.37973987"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19589"
                           xFract="0.26017654"
                           y3="2.1660"
                           yFract="0.25663507"
                           z3="4.23445"
                           zFract="0.19056931"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.2950"
                           xFract="0.27191943"
                           y3="1.95752"
                           yFract="0.23193365"
                           z3="8.84749"
                           zFract="0.39817687"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.13842"
                           xFract="0.49033412"
                           y3="2.15459"
                           yFract="0.25528318"
                           z3="6.39632"
                           zFract="0.28786319"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49553"
                           xFract="0.76961256"
                           y3="0.05297"
                           yFract="0.00627607"
                           z3="6.43089"
                           zFract="0.28941899"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12339"
                           xFract="0.48855332"
                           y3="-0.00892"
                           yFract="-0.00105687"
                           z3="4.30898"
                           zFract="0.19392349"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.1204"
                           xFract="0.48819905"
                           y3="-0.10631"
                           yFract="-0.01259597"
                           z3="8.47781"
                           zFract="0.3815396"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25331"
                           xFract="0.74091351"
                           y3="2.0172"
                           yFract="0.23900474"
                           z3="4.16046"
                           zFract="0.18723942"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20989"
                           xFract="0.73576896"
                           y3="2.07478"
                           yFract="0.24582701"
                           z3="8.94819"
                           zFract="0.40270882"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00005"
                           xFract="-0.00000592"
                           y3="6.32369"
                           yFract="0.74925237"
                           z3="6.36404"
                           zFract="0.28641044"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09959"
                           xFract="0.24876659"
                           y3="4.20218"
                           yFract="0.49788863"
                           z3="6.29135"
                           zFract="0.28313906"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14604"
                           xFract="-0.01730332"
                           y3="4.27187"
                           yFract="0.50614573"
                           z3="4.3425"
                           zFract="0.19543204"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04974"
                           xFract="0.00589336"
                           y3="4.21493"
                           yFract="0.49939929"
                           z3="8.50024"
                           zFract="0.38254905"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1046"
                           xFract="0.24936019"
                           y3="6.26085"
                           yFract="0.74180687"
                           z3="4.20945"
                           zFract="0.18944419"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04688"
                           xFract="0.24252133"
                           y3="6.41046"
                           yFract="0.75953318"
                           z3="8.47179"
                           zFract="0.38126868"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20842"
                           xFract="0.49862796"
                           y3="6.28069"
                           yFract="0.74415758"
                           z3="6.3244"
                           zFract="0.28462646"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31123"
                           xFract="0.74777607"
                           y3="4.18542"
                           yFract="0.49590284"
                           z3="6.53015"
                           zFract="0.29388614"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3434"
                           xFract="0.51462085"
                           y3="4.22675"
                           yFract="0.50079976"
                           z3="4.24666"
                           zFract="0.19111881"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14968"
                           xFract="0.49166825"
                           y3="4.28555"
                           yFract="0.50776659"
                           z3="8.53562"
                           zFract="0.38414131"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.31956"
                           xFract="0.74876303"
                           y3="6.42549"
                           yFract="0.76131398"
                           z3="4.21529"
                           zFract="0.18970702"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38826"
                           xFract="0.75690284"
                           y3="6.37512"
                           yFract="0.75534597"
                           z3="8.5714"
                           zFract="0.38575158"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.61">
                  <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="H"
                           id="a1"
                           x3="2.06723"
                           xFract="0.24493246"
                           y3="2.05538"
                           yFract="0.24352844"
                           z3="9.78444"
                           zFract="0.44034383"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34497"
                           xFract="0.7517737"
                           y3="4.17879"
                           yFract="0.4951173"
                           z3="8.55478"
                           zFract="0.3850036"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12438"
                           xFract="0.25170379"
                           y3="-0.07622"
                           yFract="-0.00903081"
                           z3="8.52423"
                           zFract="0.38362871"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02404"
                           xFract="0.00284834"
                           y3="0.02285"
                           yFract="0.00270735"
                           z3="6.39842"
                           zFract="0.2879577"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10158"
                           xFract="0.24900237"
                           y3="6.30823"
                           yFract="0.74742062"
                           z3="6.36044"
                           zFract="0.28624842"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08429"
                           xFract="0.24695379"
                           y3="2.11851"
                           yFract="0.25100829"
                           z3="6.28307"
                           zFract="0.28276643"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21272"
                           xFract="0.49913744"
                           y3="6.32769"
                           yFract="0.7497263"
                           z3="4.26522"
                           zFract="0.1919541"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23287"
                           xFract="0.50152488"
                           y3="2.10783"
                           yFract="0.24974289"
                           z3="4.23902"
                           zFract="0.19077498"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18722"
                           xFract="0.49611611"
                           y3="4.22249"
                           yFract="0.50029502"
                           z3="6.40374"
                           zFract="0.28819712"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00525"
                           xFract="0.00062204"
                           y3="4.20236"
                           yFract="0.49790995"
                           z3="6.39599"
                           zFract="0.28784833"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.01072"
                           xFract="-0.00127014"
                           y3="6.32865"
                           yFract="0.74984005"
                           z3="4.2716"
                           zFract="0.19224122"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01035"
                           xFract="-0.0012263"
                           y3="6.34596"
                           yFract="0.751891"
                           z3="8.41385"
                           zFract="0.37866112"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20022"
                           xFract="0.4976564"
                           y3="-0.00281"
                           yFract="-0.00033294"
                           z3="6.40477"
                           zFract="0.28824347"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00826"
                           xFract="-0.00097867"
                           y3="2.12984"
                           yFract="0.25235071"
                           z3="4.22984"
                           zFract="0.19036184"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.19157"
                           xFract="-0.02269787"
                           y3="2.15889"
                           yFract="0.25579265"
                           z3="8.45413"
                           zFract="0.3804739"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08854"
                           xFract="0.24745735"
                           y3="4.20165"
                           yFract="0.49782583"
                           z3="4.21897"
                           zFract="0.18987264"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33082"
                           xFract="0.75009716"
                           y3="0.02343"
                           yFract="0.00277607"
                           z3="4.23268"
                           zFract="0.19048965"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08735"
                           xFract="0.24731635"
                           y3="4.32467"
                           yFract="0.51240166"
                           z3="8.59018"
                           zFract="0.38659676"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.34732"
                           xFract="0.75205213"
                           y3="2.12021"
                           yFract="0.25120972"
                           z3="6.3809"
                           zFract="0.28716922"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09819"
                           xFract="0.24860071"
                           y3="0.0020"
                           yFract="0.00023697"
                           z3="4.23182"
                           zFract="0.19045095"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25273"
                           xFract="0.50387796"
                           y3="6.29858"
                           yFract="0.74627725"
                           z3="8.49497"
                           zFract="0.38231188"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30773"
                           xFract="0.74736137"
                           y3="6.35928"
                           yFract="0.75346919"
                           z3="6.37496"
                           zFract="0.28690189"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33026"
                           xFract="0.75003081"
                           y3="4.17121"
                           yFract="0.49421919"
                           z3="4.27346"
                           zFract="0.19232493"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30502"
                           xFract="0.74704028"
                           y3="0.0500"
                           yFract="0.00592417"
                           z3="8.54982"
                           zFract="0.38478038"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.30852"
                           xFract="0.51048815"
                           y3="2.16089"
                           yFract="0.25602962"
                           z3="8.50045"
                           zFract="0.38255851"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.05269"
                           xFract="0.00624289"
                           y3="2.11884"
                           yFract="0.25104739"
                           z3="6.30184"
                           zFract="0.28361116"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97654"
                           xFract="0.2341872"
                           y3="0.0164"
                           yFract="0.00194313"
                           z3="6.41757"
                           zFract="0.28881953"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.08199"
                           xFract="0.00971445"
                           y3="-0.03954"
                           yFract="-0.00468483"
                           z3="4.27121"
                           zFract="0.19222367"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11667"
                           xFract="0.01382346"
                           y3="0.07033"
                           yFract="0.00833294"
                           z3="8.43764"
                           zFract="0.37973177"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19562"
                           xFract="0.26014455"
                           y3="2.16613"
                           yFract="0.25665047"
                           z3="4.23486"
                           zFract="0.19058776"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29505"
                           xFract="0.27192536"
                           y3="1.95818"
                           yFract="0.23201185"
                           z3="8.8472"
                           zFract="0.39816382"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.13909"
                           xFract="0.49041351"
                           y3="2.15454"
                           yFract="0.25527725"
                           z3="6.3965"
                           zFract="0.28787129"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.4950"
                           xFract="0.76954976"
                           y3="0.0538"
                           yFract="0.00637441"
                           z3="6.43083"
                           zFract="0.28941629"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12321"
                           xFract="0.48853199"
                           y3="-0.00897"
                           yFract="-0.0010628"
                           z3="4.30858"
                           zFract="0.19390549"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12031"
                           xFract="0.48818839"
                           y3="-0.10621"
                           yFract="-0.01258412"
                           z3="8.47758"
                           zFract="0.38152925"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25303"
                           xFract="0.74088033"
                           y3="2.01706"
                           yFract="0.23898815"
                           z3="4.1609"
                           zFract="0.18725923"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.2092"
                           xFract="0.7356872"
                           y3="2.07485"
                           yFract="0.24583531"
                           z3="8.95324"
                           zFract="0.40293609"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00026"
                           xFract="0.00003081"
                           y3="6.32413"
                           yFract="0.7493045"
                           z3="6.36445"
                           zFract="0.28642889"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09964"
                           xFract="0.24877251"
                           y3="4.2022"
                           yFract="0.497891"
                           z3="6.29174"
                           zFract="0.28315662"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.1462"
                           xFract="-0.01732227"
                           y3="4.27186"
                           yFract="0.50614455"
                           z3="4.34248"
                           zFract="0.19543114"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04896"
                           xFract="0.00580095"
                           y3="4.21512"
                           yFract="0.4994218"
                           z3="8.50035"
                           zFract="0.38255401"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10457"
                           xFract="0.24935664"
                           y3="6.26044"
                           yFract="0.74175829"
                           z3="4.20955"
                           zFract="0.18944869"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04679"
                           xFract="0.24251066"
                           y3="6.41014"
                           yFract="0.75949526"
                           z3="8.47174"
                           zFract="0.38126643"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20833"
                           xFract="0.4986173"
                           y3="6.28072"
                           yFract="0.74416114"
                           z3="6.32458"
                           zFract="0.28463456"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31153"
                           xFract="0.74781161"
                           y3="4.18502"
                           yFract="0.49585545"
                           z3="6.5305"
                           zFract="0.29390189"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.34322"
                           xFract="0.51459953"
                           y3="4.22668"
                           yFract="0.50079147"
                           z3="4.24706"
                           zFract="0.19113681"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14978"
                           xFract="0.49168009"
                           y3="4.28539"
                           yFract="0.50774763"
                           z3="8.53587"
                           zFract="0.38415257"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.31972"
                           xFract="0.74878199"
                           y3="6.42597"
                           yFract="0.76137085"
                           z3="4.21554"
                           zFract="0.18971827"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38829"
                           xFract="0.7569064"
                           y3="6.37489"
                           yFract="0.75531872"
                           z3="8.57113"
                           zFract="0.38573942"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.62">
                  <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="H"
                           id="a1"
                           x3="2.06908"
                           xFract="0.24515166"
                           y3="2.05432"
                           yFract="0.24340284"
                           z3="9.78577"
                           zFract="0.44040369"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34396"
                           xFract="0.75165403"
                           y3="4.17605"
                           yFract="0.49479265"
                           z3="8.55711"
                           zFract="0.38510846"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12356"
                           xFract="0.25160664"
                           y3="-0.07877"
                           yFract="-0.00933294"
                           z3="8.52453"
                           zFract="0.38364221"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02187"
                           xFract="0.00259123"
                           y3="0.02317"
                           yFract="0.00274526"
                           z3="6.3981"
                           zFract="0.28794329"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10154"
                           xFract="0.24899763"
                           y3="6.30837"
                           yFract="0.7474372"
                           z3="6.36143"
                           zFract="0.28629298"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08563"
                           xFract="0.24711256"
                           y3="2.11915"
                           yFract="0.25108412"
                           z3="6.28427"
                           zFract="0.28282043"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21209"
                           xFract="0.4990628"
                           y3="6.32735"
                           yFract="0.74968602"
                           z3="4.26591"
                           zFract="0.19198515"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23207"
                           xFract="0.50143009"
                           y3="2.10784"
                           yFract="0.24974408"
                           z3="4.23836"
                           zFract="0.19074527"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18764"
                           xFract="0.49616588"
                           y3="4.22252"
                           yFract="0.50029858"
                           z3="6.40534"
                           zFract="0.28826913"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0060"
                           xFract="0.0007109"
                           y3="4.20264"
                           yFract="0.49794313"
                           z3="6.39655"
                           zFract="0.28787354"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00972"
                           xFract="-0.00115166"
                           y3="6.32924"
                           yFract="0.74990995"
                           z3="4.27335"
                           zFract="0.19231998"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01025"
                           xFract="-0.00121445"
                           y3="6.34526"
                           yFract="0.75180806"
                           z3="8.41544"
                           zFract="0.37873267"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20043"
                           xFract="0.49768128"
                           y3="-0.00412"
                           yFract="-0.00048815"
                           z3="6.40406"
                           zFract="0.28821152"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00767"
                           xFract="-0.00090877"
                           y3="2.13009"
                           yFract="0.25238033"
                           z3="4.23034"
                           zFract="0.19038434"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.19501"
                           xFract="-0.02310545"
                           y3="2.15893"
                           yFract="0.25579739"
                           z3="8.45538"
                           zFract="0.38053015"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.0885"
                           xFract="0.24745261"
                           y3="4.20122"
                           yFract="0.49777488"
                           z3="4.21862"
                           zFract="0.18985689"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33145"
                           xFract="0.7501718"
                           y3="0.02234"
                           yFract="0.00264692"
                           z3="4.23198"
                           zFract="0.19045815"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.0861"
                           xFract="0.24716825"
                           y3="4.32532"
                           yFract="0.51247867"
                           z3="8.59164"
                           zFract="0.38666247"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.34735"
                           xFract="0.75205569"
                           y3="2.12125"
                           yFract="0.25133294"
                           z3="6.37985"
                           zFract="0.28712196"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09789"
                           xFract="0.24856517"
                           y3="0.00301"
                           yFract="0.00035664"
                           z3="4.23159"
                           zFract="0.19044059"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25205"
                           xFract="0.50379739"
                           y3="6.29909"
                           yFract="0.74633768"
                           z3="8.49469"
                           zFract="0.38229928"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30793"
                           xFract="0.74738507"
                           y3="6.35975"
                           yFract="0.75352488"
                           z3="6.37634"
                           zFract="0.286964"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33001"
                           xFract="0.75000118"
                           y3="4.17131"
                           yFract="0.49423104"
                           z3="4.27368"
                           zFract="0.19233483"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30569"
                           xFract="0.74711967"
                           y3="0.05278"
                           yFract="0.00625355"
                           z3="8.55174"
                           zFract="0.38486679"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.31253"
                           xFract="0.51096327"
                           y3="2.16101"
                           yFract="0.25604384"
                           z3="8.5033"
                           zFract="0.38268677"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.05371"
                           xFract="0.00636374"
                           y3="2.11833"
                           yFract="0.25098697"
                           z3="6.30288"
                           zFract="0.28365797"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97649"
                           xFract="0.23418128"
                           y3="0.01729"
                           yFract="0.00204858"
                           z3="6.41794"
                           zFract="0.28883618"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.08254"
                           xFract="0.00977962"
                           y3="-0.03909"
                           yFract="-0.00463152"
                           z3="4.27413"
                           zFract="0.19235509"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11492"
                           xFract="0.01361611"
                           y3="0.07049"
                           yFract="0.0083519"
                           z3="8.43711"
                           zFract="0.37970792"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19481"
                           xFract="0.26004858"
                           y3="2.16655"
                           yFract="0.25670024"
                           z3="4.23611"
                           zFract="0.19064401"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29517"
                           xFract="0.27193957"
                           y3="1.96016"
                           yFract="0.23224645"
                           z3="8.84631"
                           zFract="0.39812376"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14109"
                           xFract="0.49065047"
                           y3="2.15438"
                           yFract="0.25525829"
                           z3="6.39704"
                           zFract="0.28789559"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.4934"
                           xFract="0.76936019"
                           y3="0.05631"
                           yFract="0.0066718"
                           z3="6.43065"
                           zFract="0.28940819"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12268"
                           xFract="0.48846919"
                           y3="-0.00912"
                           yFract="-0.00108057"
                           z3="4.30736"
                           zFract="0.19385059"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12003"
                           xFract="0.48815521"
                           y3="-0.10594"
                           yFract="-0.01255213"
                           z3="8.47691"
                           zFract="0.3814991"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25219"
                           xFract="0.74078081"
                           y3="2.01665"
                           yFract="0.23893957"
                           z3="4.16224"
                           zFract="0.18731953"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20715"
                           xFract="0.73544431"
                           y3="2.07508"
                           yFract="0.24586256"
                           z3="8.96838"
                           zFract="0.40361746"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00121"
                           xFract="0.00014336"
                           y3="6.32546"
                           yFract="0.74946209"
                           z3="6.36569"
                           zFract="0.2864847"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0998"
                           xFract="0.24879147"
                           y3="4.20228"
                           yFract="0.49790047"
                           z3="6.29292"
                           zFract="0.28320972"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14668"
                           xFract="-0.01737915"
                           y3="4.27182"
                           yFract="0.50613981"
                           z3="4.34242"
                           zFract="0.19542844"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0466"
                           xFract="0.00552133"
                           y3="4.21569"
                           yFract="0.49948934"
                           z3="8.50069"
                           zFract="0.38256931"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10448"
                           xFract="0.24934597"
                           y3="6.25921"
                           yFract="0.74161256"
                           z3="4.20985"
                           zFract="0.1894622"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04649"
                           xFract="0.24247512"
                           y3="6.4092"
                           yFract="0.75938389"
                           z3="8.4716"
                           zFract="0.38126013"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20807"
                           xFract="0.49858649"
                           y3="6.2808"
                           yFract="0.74417062"
                           z3="6.32514"
                           zFract="0.28465977"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31245"
                           xFract="0.74792062"
                           y3="4.18385"
                           yFract="0.49571682"
                           z3="6.53156"
                           zFract="0.29394959"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.34268"
                           xFract="0.51453555"
                           y3="4.2265"
                           yFract="0.50077014"
                           z3="4.24825"
                           zFract="0.19119037"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15007"
                           xFract="0.49171445"
                           y3="4.28492"
                           yFract="0.50769194"
                           z3="8.53661"
                           zFract="0.38418587"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32022"
                           xFract="0.74884123"
                           y3="6.42743"
                           yFract="0.76154384"
                           z3="4.21629"
                           zFract="0.18975203"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38838"
                           xFract="0.75691706"
                           y3="6.37418"
                           yFract="0.7552346"
                           z3="8.57033"
                           zFract="0.38570342"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.63">
                  <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="H"
                           id="a1"
                           x3="2.07279"
                           xFract="0.24559123"
                           y3="2.05218"
                           yFract="0.24314929"
                           z3="9.78844"
                           zFract="0.44052385"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34194"
                           xFract="0.75141469"
                           y3="4.17055"
                           yFract="0.494141"
                           z3="8.56175"
                           zFract="0.38531728"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12192"
                           xFract="0.25141232"
                           y3="-0.08385"
                           yFract="-0.00993483"
                           z3="8.52511"
                           zFract="0.38366832"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01751"
                           xFract="0.00207464"
                           y3="0.02383"
                           yFract="0.00282346"
                           z3="6.39746"
                           zFract="0.28791449"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10147"
                           xFract="0.24898934"
                           y3="6.30865"
                           yFract="0.74747038"
                           z3="6.36342"
                           zFract="0.28638254"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08833"
                           xFract="0.24743246"
                           y3="2.12042"
                           yFract="0.2512346"
                           z3="6.28665"
                           zFract="0.28292754"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21082"
                           xFract="0.49891232"
                           y3="6.32669"
                           yFract="0.74960782"
                           z3="4.2673"
                           zFract="0.1920477"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23047"
                           xFract="0.50124052"
                           y3="2.10786"
                           yFract="0.24974645"
                           z3="4.23704"
                           zFract="0.19068587"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18849"
                           xFract="0.49626659"
                           y3="4.22257"
                           yFract="0.5003045"
                           z3="6.40852"
                           zFract="0.28841224"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00752"
                           xFract="0.000891"
                           y3="4.2032"
                           yFract="0.49800948"
                           z3="6.39768"
                           zFract="0.28792439"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.0077"
                           xFract="-0.00091232"
                           y3="6.33042"
                           yFract="0.75004976"
                           z3="4.27685"
                           zFract="0.1924775"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01005"
                           xFract="-0.00119076"
                           y3="6.34384"
                           yFract="0.75163981"
                           z3="8.41862"
                           zFract="0.37887579"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20086"
                           xFract="0.49773223"
                           y3="-0.00674"
                           yFract="-0.00079858"
                           z3="6.40264"
                           zFract="0.28814761"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00649"
                           xFract="-0.00076896"
                           y3="2.13058"
                           yFract="0.25243839"
                           z3="4.23135"
                           zFract="0.19042979"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.20189"
                           xFract="-0.02392062"
                           y3="2.1590"
                           yFract="0.25580569"
                           z3="8.45787"
                           zFract="0.38064221"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08841"
                           xFract="0.24744194"
                           y3="4.20037"
                           yFract="0.49767417"
                           z3="4.21792"
                           zFract="0.18982538"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33271"
                           xFract="0.75032109"
                           y3="0.02017"
                           yFract="0.00238981"
                           z3="4.23059"
                           zFract="0.19039559"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.0836"
                           xFract="0.24687204"
                           y3="4.32661"
                           yFract="0.51263152"
                           z3="8.59454"
                           zFract="0.38679298"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3474"
                           xFract="0.75206161"
                           y3="2.12334"
                           yFract="0.25158057"
                           z3="6.37776"
                           zFract="0.2870279"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09729"
                           xFract="0.24849408"
                           y3="0.00503"
                           yFract="0.00059597"
                           z3="4.23111"
                           zFract="0.19041899"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25067"
                           xFract="0.50363389"
                           y3="6.30009"
                           yFract="0.74645616"
                           z3="8.49414"
                           zFract="0.38227453"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30832"
                           xFract="0.74743128"
                           y3="6.3607"
                           yFract="0.75363744"
                           z3="6.37911"
                           zFract="0.28708866"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.32951"
                           xFract="0.74994194"
                           y3="4.17149"
                           yFract="0.49425237"
                           z3="4.2741"
                           zFract="0.19235374"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30703"
                           xFract="0.74727844"
                           y3="0.05834"
                           yFract="0.00691232"
                           z3="8.55559"
                           zFract="0.38504005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.32053"
                           xFract="0.51191114"
                           y3="2.16127"
                           yFract="0.25607464"
                           z3="8.50901"
                           zFract="0.38294374"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.05575"
                           xFract="0.00660545"
                           y3="2.11732"
                           yFract="0.2508673"
                           z3="6.30496"
                           zFract="0.28375158"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97641"
                           xFract="0.2341718"
                           y3="0.01907"
                           yFract="0.00225948"
                           z3="6.41868"
                           zFract="0.28886949"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.08364"
                           xFract="0.00990995"
                           y3="-0.03819"
                           yFract="-0.00452488"
                           z3="4.27997"
                           zFract="0.19261791"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11142"
                           xFract="0.01320142"
                           y3="0.07081"
                           yFract="0.00838981"
                           z3="8.43605"
                           zFract="0.37966022"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19319"
                           xFract="0.25985664"
                           y3="2.16739"
                           yFract="0.25679976"
                           z3="4.23861"
                           zFract="0.19075653"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29543"
                           xFract="0.27197038"
                           y3="1.96412"
                           yFract="0.23271564"
                           z3="8.84454"
                           zFract="0.3980441"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14508"
                           xFract="0.49112322"
                           y3="2.15407"
                           yFract="0.25522156"
                           z3="6.39812"
                           zFract="0.28794419"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49021"
                           xFract="0.76898223"
                           y3="0.06133"
                           yFract="0.00726659"
                           z3="6.43029"
                           zFract="0.28939199"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12162"
                           xFract="0.4883436"
                           y3="-0.00943"
                           yFract="-0.0011173"
                           z3="4.30492"
                           zFract="0.19374077"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.11947"
                           xFract="0.48808886"
                           y3="-0.10539"
                           yFract="-0.01248697"
                           z3="8.47556"
                           zFract="0.38143834"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25051"
                           xFract="0.74058175"
                           y3="2.01583"
                           yFract="0.23884242"
                           z3="4.16491"
                           zFract="0.18743969"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20305"
                           xFract="0.73495853"
                           y3="2.07554"
                           yFract="0.24591706"
                           z3="8.99866"
                           zFract="0.4049802"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0031"
                           xFract="0.0003673"
                           y3="6.32811"
                           yFract="0.74977607"
                           z3="6.36816"
                           zFract="0.28659586"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10011"
                           xFract="0.2488282"
                           y3="4.20244"
                           yFract="0.49791943"
                           z3="6.29527"
                           zFract="0.28331548"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14764"
                           xFract="-0.01749289"
                           y3="4.27174"
                           yFract="0.50613033"
                           z3="4.3423"
                           zFract="0.19542304"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04188"
                           xFract="0.00496209"
                           y3="4.21682"
                           yFract="0.49962322"
                           z3="8.50138"
                           zFract="0.38260036"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10429"
                           xFract="0.24932346"
                           y3="6.25675"
                           yFract="0.74132109"
                           z3="4.21045"
                           zFract="0.1894892"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0459"
                           xFract="0.24240521"
                           y3="6.40731"
                           yFract="0.75915995"
                           z3="8.47132"
                           zFract="0.38124752"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20754"
                           xFract="0.4985237"
                           y3="6.28098"
                           yFract="0.74419194"
                           z3="6.32624"
                           zFract="0.28470927"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31428"
                           xFract="0.74813744"
                           y3="4.18149"
                           yFract="0.4954372"
                           z3="6.53368"
                           zFract="0.294045"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.34161"
                           xFract="0.51440877"
                           y3="4.22613"
                           yFract="0.5007263"
                           z3="4.25063"
                           zFract="0.19129748"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15066"
                           xFract="0.49178436"
                           y3="4.28398"
                           yFract="0.50758057"
                           z3="8.5381"
                           zFract="0.38425293"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3212"
                           xFract="0.74895735"
                           y3="6.43033"
                           yFract="0.76188744"
                           z3="4.21779"
                           zFract="0.18981953"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38856"
                           xFract="0.75693839"
                           y3="6.37276"
                           yFract="0.75506635"
                           z3="8.56872"
                           zFract="0.38563096"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.64">
                  <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="H"
                           id="a1"
                           x3="2.07439"
                           xFract="0.24578081"
                           y3="2.05126"
                           yFract="0.24304028"
                           z3="9.78959"
                           zFract="0.44057561"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34107"
                           xFract="0.75131161"
                           y3="4.16818"
                           yFract="0.49386019"
                           z3="8.56376"
                           zFract="0.38540774"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12121"
                           xFract="0.2513282"
                           y3="-0.08604"
                           yFract="-0.01019431"
                           z3="8.52536"
                           zFract="0.38367957"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01563"
                           xFract="0.0018519"
                           y3="0.02411"
                           yFract="0.00285664"
                           z3="6.39719"
                           zFract="0.28790234"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10143"
                           xFract="0.2489846"
                           y3="6.30877"
                           yFract="0.7474846"
                           z3="6.36428"
                           zFract="0.28642124"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08949"
                           xFract="0.24756991"
                           y3="2.12096"
                           yFract="0.25129858"
                           z3="6.28768"
                           zFract="0.2829739"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21028"
                           xFract="0.49884834"
                           y3="6.32641"
                           yFract="0.74957464"
                           z3="4.2679"
                           zFract="0.19207471"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22978"
                           xFract="0.50115877"
                           y3="2.10787"
                           yFract="0.24974763"
                           z3="4.23647"
                           zFract="0.19066022"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18886"
                           xFract="0.49631043"
                           y3="4.2226"
                           yFract="0.50030806"
                           z3="6.40989"
                           zFract="0.2884739"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00818"
                           xFract="0.00096919"
                           y3="4.20344"
                           yFract="0.49803791"
                           z3="6.39816"
                           zFract="0.28794599"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00683"
                           xFract="-0.00080924"
                           y3="6.33092"
                           yFract="0.750109"
                           z3="4.27836"
                           zFract="0.19254545"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.00997"
                           xFract="-0.00118128"
                           y3="6.34323"
                           yFract="0.75156754"
                           z3="8.41999"
                           zFract="0.37893744"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20105"
                           xFract="0.49775474"
                           y3="-0.00787"
                           yFract="-0.00093246"
                           z3="6.40203"
                           zFract="0.28812016"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00598"
                           xFract="-0.00070853"
                           y3="2.13079"
                           yFract="0.25246327"
                           z3="4.23178"
                           zFract="0.19044914"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.20486"
                           xFract="-0.02427251"
                           y3="2.15903"
                           yFract="0.25580924"
                           z3="8.45895"
                           zFract="0.38069082"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08837"
                           xFract="0.2474372"
                           y3="4.2000"
                           yFract="0.49763033"
                           z3="4.21762"
                           zFract="0.18981188"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33325"
                           xFract="0.75038507"
                           y3="0.01923"
                           yFract="0.00227844"
                           z3="4.22999"
                           zFract="0.19036859"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08252"
                           xFract="0.24674408"
                           y3="4.32717"
                           yFract="0.51269787"
                           z3="8.5958"
                           zFract="0.38684968"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.34742"
                           xFract="0.75206398"
                           y3="2.12424"
                           yFract="0.2516872"
                           z3="6.37686"
                           zFract="0.2869874"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09704"
                           xFract="0.24846445"
                           y3="0.00591"
                           yFract="0.00070024"
                           z3="4.23091"
                           zFract="0.19040999"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25008"
                           xFract="0.50356398"
                           y3="6.30052"
                           yFract="0.74650711"
                           z3="8.49391"
                           zFract="0.38226418"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30849"
                           xFract="0.74745142"
                           y3="6.36111"
                           yFract="0.75368602"
                           z3="6.3803"
                           zFract="0.28714221"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3293"
                           xFract="0.74991706"
                           y3="4.17157"
                           yFract="0.49426185"
                           z3="4.27428"
                           zFract="0.19236184"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30761"
                           xFract="0.74734716"
                           y3="0.06074"
                           yFract="0.00719668"
                           z3="8.55725"
                           zFract="0.38511476"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.32399"
                           xFract="0.51232109"
                           y3="2.16138"
                           yFract="0.25608768"
                           z3="8.51147"
                           zFract="0.38305446"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.05663"
                           xFract="0.00670972"
                           y3="2.11688"
                           yFract="0.25081517"
                           z3="6.30586"
                           zFract="0.28379208"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97637"
                           xFract="0.23416706"
                           y3="0.01983"
                           yFract="0.00234953"
                           z3="6.4190"
                           zFract="0.28888389"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.08412"
                           xFract="0.00996682"
                           y3="-0.0378"
                           yFract="-0.00447867"
                           z3="4.28249"
                           zFract="0.19273132"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10991"
                           xFract="0.01302251"
                           y3="0.07095"
                           yFract="0.0084064"
                           z3="8.43559"
                           zFract="0.37963951"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19249"
                           xFract="0.2597737"
                           y3="2.16775"
                           yFract="0.25684242"
                           z3="4.23968"
                           zFract="0.19080468"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29554"
                           xFract="0.27198341"
                           y3="1.96583"
                           yFract="0.23291825"
                           z3="8.84378"
                           zFract="0.3980099"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14681"
                           xFract="0.4913282"
                           y3="2.15394"
                           yFract="0.25520616"
                           z3="6.39859"
                           zFract="0.28796535"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48883"
                           xFract="0.76881872"
                           y3="0.0635"
                           yFract="0.0075237"
                           z3="6.43014"
                           zFract="0.28938524"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12116"
                           xFract="0.4882891"
                           y3="-0.00957"
                           yFract="-0.00113389"
                           z3="4.30386"
                           zFract="0.19369307"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.11923"
                           xFract="0.48806043"
                           y3="-0.10515"
                           yFract="-0.01245853"
                           z3="8.47497"
                           zFract="0.38141179"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.24979"
                           xFract="0.74049645"
                           y3="2.01548"
                           yFract="0.23880095"
                           z3="4.16606"
                           zFract="0.18749145"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20129"
                           xFract="0.73475"
                           y3="2.07574"
                           yFract="0.24594076"
                           z3="9.01173"
                           zFract="0.40556841"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00392"
                           xFract="0.00046445"
                           y3="6.32926"
                           yFract="0.74991232"
                           z3="6.36923"
                           zFract="0.28664401"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10025"
                           xFract="0.24884479"
                           y3="4.2025"
                           yFract="0.49792654"
                           z3="6.29629"
                           zFract="0.28336139"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14805"
                           xFract="-0.01754147"
                           y3="4.27171"
                           yFract="0.50612678"
                           z3="4.34225"
                           zFract="0.19542079"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03984"
                           xFract="0.00472038"
                           y3="4.21731"
                           yFract="0.49968128"
                           z3="8.50167"
                           zFract="0.38261341"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10421"
                           xFract="0.24931398"
                           y3="6.25568"
                           yFract="0.74119431"
                           z3="4.21071"
                           zFract="0.1895009"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04564"
                           xFract="0.24237441"
                           y3="6.40649"
                           yFract="0.7590628"
                           z3="8.4712"
                           zFract="0.38124212"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20731"
                           xFract="0.49849645"
                           y3="6.28105"
                           yFract="0.74420024"
                           z3="6.32672"
                           zFract="0.28473087"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31506"
                           xFract="0.74822986"
                           y3="4.18048"
                           yFract="0.49531754"
                           z3="6.53459"
                           zFract="0.29408596"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.34115"
                           xFract="0.51435427"
                           y3="4.22597"
                           yFract="0.50070735"
                           z3="4.25166"
                           zFract="0.19134383"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15092"
                           xFract="0.49181517"
                           y3="4.28358"
                           yFract="0.50753318"
                           z3="8.53875"
                           zFract="0.38428218"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32163"
                           xFract="0.74900829"
                           y3="6.43159"
                           yFract="0.76203673"
                           z3="4.21843"
                           zFract="0.18984833"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38863"
                           xFract="0.75694668"
                           y3="6.37215"
                           yFract="0.75499408"
                           z3="8.56803"
                           zFract="0.38559991"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.65">
                  <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="H"
                           id="a1"
                           x3="2.07429"
                           xFract="0.24576896"
                           y3="2.05146"
                           yFract="0.24306398"
                           z3="9.79085"
                           zFract="0.44063231"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34086"
                           xFract="0.75128673"
                           y3="4.16796"
                           yFract="0.49383412"
                           z3="8.56433"
                           zFract="0.38543339"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12122"
                           xFract="0.25132938"
                           y3="-0.08413"
                           yFract="-0.00996801"
                           z3="8.52506"
                           zFract="0.38366607"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01654"
                           xFract="0.00195972"
                           y3="0.02456"
                           yFract="0.00290995"
                           z3="6.39769"
                           zFract="0.28792484"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10152"
                           xFract="0.24899526"
                           y3="6.30908"
                           yFract="0.74752133"
                           z3="6.36416"
                           zFract="0.28641584"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09009"
                           xFract="0.247641"
                           y3="2.12077"
                           yFract="0.25127607"
                           z3="6.28873"
                           zFract="0.28302115"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21024"
                           xFract="0.4988436"
                           y3="6.32615"
                           yFract="0.74954384"
                           z3="4.26788"
                           zFract="0.19207381"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22981"
                           xFract="0.50116232"
                           y3="2.1078"
                           yFract="0.24973934"
                           z3="4.23654"
                           zFract="0.19066337"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18899"
                           xFract="0.49632583"
                           y3="4.22243"
                           yFract="0.50028791"
                           z3="6.41024"
                           zFract="0.28848965"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00822"
                           xFract="0.00097393"
                           y3="4.20316"
                           yFract="0.49800474"
                           z3="6.39803"
                           zFract="0.28794014"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00649"
                           xFract="-0.00076896"
                           y3="6.33088"
                           yFract="0.75010427"
                           z3="4.27865"
                           zFract="0.19255851"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01055"
                           xFract="-0.00125"
                           y3="6.34324"
                           yFract="0.75156872"
                           z3="8.42049"
                           zFract="0.37895995"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20103"
                           xFract="0.49775237"
                           y3="-0.00769"
                           yFract="-0.00091114"
                           z3="6.40152"
                           zFract="0.28809721"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00607"
                           xFract="-0.00071919"
                           y3="2.13096"
                           yFract="0.25248341"
                           z3="4.23223"
                           zFract="0.1904694"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.20579"
                           xFract="-0.0243827"
                           y3="2.15905"
                           yFract="0.25581161"
                           z3="8.4586"
                           zFract="0.38067507"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08831"
                           xFract="0.24743009"
                           y3="4.20004"
                           yFract="0.49763507"
                           z3="4.21786"
                           zFract="0.18982268"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33326"
                           xFract="0.75038626"
                           y3="0.01962"
                           yFract="0.00232464"
                           z3="4.22981"
                           zFract="0.19036049"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08194"
                           xFract="0.24667536"
                           y3="4.32685"
                           yFract="0.51265995"
                           z3="8.59595"
                           zFract="0.38685644"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.34696"
                           xFract="0.75200948"
                           y3="2.12446"
                           yFract="0.25171327"
                           z3="6.37678"
                           zFract="0.2869838"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09695"
                           xFract="0.24845379"
                           y3="0.00605"
                           yFract="0.00071682"
                           z3="4.23102"
                           zFract="0.19041494"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25081"
                           xFract="0.50365047"
                           y3="6.3004"
                           yFract="0.74649289"
                           z3="8.4938"
                           zFract="0.38225923"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30894"
                           xFract="0.74750474"
                           y3="6.36113"
                           yFract="0.75368839"
                           z3="6.38116"
                           zFract="0.28718092"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.32903"
                           xFract="0.74988507"
                           y3="4.1717"
                           yFract="0.49427725"
                           z3="4.27434"
                           zFract="0.19236454"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30813"
                           xFract="0.74740877"
                           y3="0.06095"
                           yFract="0.00722156"
                           z3="8.55792"
                           zFract="0.38514491"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.32306"
                           xFract="0.5122109"
                           y3="2.1613"
                           yFract="0.2560782"
                           z3="8.51218"
                           zFract="0.38308641"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.05702"
                           xFract="0.00675592"
                           y3="2.11747"
                           yFract="0.25088507"
                           z3="6.30661"
                           zFract="0.28382583"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97591"
                           xFract="0.23411256"
                           y3="0.01976"
                           yFract="0.00234123"
                           z3="6.41893"
                           zFract="0.28888074"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.08395"
                           xFract="0.00994668"
                           y3="-0.03792"
                           yFract="-0.00449289"
                           z3="4.2833"
                           zFract="0.19276778"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.1090"
                           xFract="0.01291469"
                           y3="0.07087"
                           yFract="0.00839692"
                           z3="8.4357"
                           zFract="0.37964446"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1925"
                           xFract="0.25977488"
                           y3="2.16748"
                           yFract="0.25681043"
                           z3="4.24005"
                           zFract="0.19082133"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29675"
                           xFract="0.27212678"
                           y3="1.96547"
                           yFract="0.23287559"
                           z3="8.84214"
                           zFract="0.39793609"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14679"
                           xFract="0.49132583"
                           y3="2.1537"
                           yFract="0.25517773"
                           z3="6.39928"
                           zFract="0.2879964"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48787"
                           xFract="0.76870498"
                           y3="0.06383"
                           yFract="0.0075628"
                           z3="6.43074"
                           zFract="0.28941224"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12118"
                           xFract="0.48829147"
                           y3="-0.00973"
                           yFract="-0.00115284"
                           z3="4.30314"
                           zFract="0.19366067"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.11927"
                           xFract="0.48806517"
                           y3="-0.10546"
                           yFract="-0.01249526"
                           z3="8.47453"
                           zFract="0.38139199"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.24985"
                           xFract="0.74050355"
                           y3="2.01556"
                           yFract="0.23881043"
                           z3="4.16658"
                           zFract="0.18751485"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20194"
                           xFract="0.73482701"
                           y3="2.07586"
                           yFract="0.24595498"
                           z3="9.01638"
                           zFract="0.40577768"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00383"
                           xFract="0.00045379"
                           y3="6.32915"
                           yFract="0.74989929"
                           z3="6.36952"
                           zFract="0.28665707"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.1004"
                           xFract="0.24886256"
                           y3="4.20254"
                           yFract="0.49793128"
                           z3="6.29662"
                           zFract="0.28337624"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14796"
                           xFract="-0.01753081"
                           y3="4.27218"
                           yFract="0.50618246"
                           z3="4.34256"
                           zFract="0.19543474"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03914"
                           xFract="0.00463744"
                           y3="4.21714"
                           yFract="0.49966114"
                           z3="8.50189"
                           zFract="0.38262331"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10416"
                           xFract="0.24930806"
                           y3="6.25587"
                           yFract="0.74121682"
                           z3="4.21076"
                           zFract="0.18950315"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04532"
                           xFract="0.24233649"
                           y3="6.40554"
                           yFract="0.75895024"
                           z3="8.47173"
                           zFract="0.38126598"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20761"
                           xFract="0.49853199"
                           y3="6.28071"
                           yFract="0.74415995"
                           z3="6.32674"
                           zFract="0.28473177"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31525"
                           xFract="0.74825237"
                           y3="4.18042"
                           yFract="0.49531043"
                           z3="6.53513"
                           zFract="0.29411026"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3412"
                           xFract="0.51436019"
                           y3="4.2259"
                           yFract="0.50069905"
                           z3="4.2518"
                           zFract="0.19135014"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15091"
                           xFract="0.49181398"
                           y3="4.28407"
                           yFract="0.50759123"
                           z3="8.53906"
                           zFract="0.38429613"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32178"
                           xFract="0.74902607"
                           y3="6.4310"
                           yFract="0.76196682"
                           z3="4.21907"
                           zFract="0.18987714"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38824"
                           xFract="0.75690047"
                           y3="6.37205"
                           yFract="0.75498223"
                           z3="8.56796"
                           zFract="0.38559676"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.66">
                  <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="H"
                           id="a1"
                           x3="2.07411"
                           xFract="0.24574763"
                           y3="2.05185"
                           yFract="0.24311019"
                           z3="9.79323"
                           zFract="0.44073942"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34048"
                           xFract="0.75124171"
                           y3="4.16754"
                           yFract="0.49378436"
                           z3="8.56541"
                           zFract="0.385482"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12122"
                           xFract="0.25132938"
                           y3="-0.08049"
                           yFract="-0.00953673"
                           z3="8.52448"
                           zFract="0.38363996"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01828"
                           xFract="0.00216588"
                           y3="0.0254"
                           yFract="0.00300948"
                           z3="6.39865"
                           zFract="0.28796805"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10169"
                           xFract="0.2490154"
                           y3="6.30968"
                           yFract="0.74759242"
                           z3="6.36394"
                           zFract="0.28640594"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09122"
                           xFract="0.24777488"
                           y3="2.12039"
                           yFract="0.25123104"
                           z3="6.29072"
                           zFract="0.28311071"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21017"
                           xFract="0.49883531"
                           y3="6.32566"
                           yFract="0.74948578"
                           z3="4.26784"
                           zFract="0.19207201"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22987"
                           xFract="0.50116943"
                           y3="2.10767"
                           yFract="0.24972393"
                           z3="4.23665"
                           zFract="0.19066832"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18923"
                           xFract="0.49635427"
                           y3="4.22211"
                           yFract="0.50025"
                           z3="6.41091"
                           zFract="0.2885198"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0083"
                           xFract="0.00098341"
                           y3="4.20263"
                           yFract="0.49794194"
                           z3="6.3978"
                           zFract="0.28792979"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00585"
                           xFract="-0.00069313"
                           y3="6.3308"
                           yFract="0.75009479"
                           z3="4.27922"
                           zFract="0.19258416"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01166"
                           xFract="-0.00138152"
                           y3="6.34325"
                           yFract="0.75156991"
                           z3="8.42143"
                           zFract="0.37900225"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2010"
                           xFract="0.49774882"
                           y3="-0.00734"
                           yFract="-0.00086967"
                           z3="6.40055"
                           zFract="0.28805356"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00626"
                           xFract="-0.00074171"
                           y3="2.13128"
                           yFract="0.25252133"
                           z3="4.23308"
                           zFract="0.19050765"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.20756"
                           xFract="-0.02459242"
                           y3="2.15909"
                           yFract="0.25581635"
                           z3="8.45795"
                           zFract="0.38064581"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08818"
                           xFract="0.24741469"
                           y3="4.20012"
                           yFract="0.49764455"
                           z3="4.21831"
                           zFract="0.18984293"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33326"
                           xFract="0.75038626"
                           y3="0.02037"
                           yFract="0.00241351"
                           z3="4.22946"
                           zFract="0.19034473"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08085"
                           xFract="0.24654621"
                           y3="4.32623"
                           yFract="0.51258649"
                           z3="8.59624"
                           zFract="0.38686949"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.34607"
                           xFract="0.75190403"
                           y3="2.12487"
                           yFract="0.25176185"
                           z3="6.37664"
                           zFract="0.2869775"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09677"
                           xFract="0.24843246"
                           y3="0.00633"
                           yFract="0.00075"
                           z3="4.23124"
                           zFract="0.19042484"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2522"
                           xFract="0.50381517"
                           y3="6.30018"
                           yFract="0.74646682"
                           z3="8.49361"
                           zFract="0.38225068"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30981"
                           xFract="0.74760782"
                           y3="6.36118"
                           yFract="0.75369431"
                           z3="6.38279"
                           zFract="0.28725428"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.32853"
                           xFract="0.74982583"
                           y3="4.17196"
                           yFract="0.49430806"
                           z3="4.27444"
                           zFract="0.19236904"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30911"
                           xFract="0.74752488"
                           y3="0.06135"
                           yFract="0.00726896"
                           z3="8.55919"
                           zFract="0.38520207"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.32128"
                           xFract="0.5120"
                           y3="2.16117"
                           yFract="0.2560628"
                           z3="8.51352"
                           zFract="0.38314671"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.05775"
                           xFract="0.00684242"
                           y3="2.11861"
                           yFract="0.25102014"
                           z3="6.30806"
                           zFract="0.28389109"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97504"
                           xFract="0.23400948"
                           y3="0.01963"
                           yFract="0.00232583"
                           z3="6.41879"
                           zFract="0.28887444"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.08364"
                           xFract="0.00990995"
                           y3="-0.03814"
                           yFract="-0.00451896"
                           z3="4.28483"
                           zFract="0.19283663"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10727"
                           xFract="0.01270972"
                           y3="0.07072"
                           yFract="0.00837915"
                           z3="8.43591"
                           zFract="0.37965392"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19253"
                           xFract="0.25977844"
                           y3="2.16696"
                           yFract="0.25674882"
                           z3="4.24076"
                           zFract="0.19085329"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29906"
                           xFract="0.27240047"
                           y3="1.96479"
                           yFract="0.23279502"
                           z3="8.8390"
                           zFract="0.39779478"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14675"
                           xFract="0.49132109"
                           y3="2.15323"
                           yFract="0.25512204"
                           z3="6.40059"
                           zFract="0.28805536"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48606"
                           xFract="0.76849052"
                           y3="0.06445"
                           yFract="0.00763626"
                           z3="6.4319"
                           zFract="0.28946445"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12123"
                           xFract="0.48829739"
                           y3="-0.01005"
                           yFract="-0.00119076"
                           z3="4.30176"
                           zFract="0.19359856"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.11933"
                           xFract="0.48807227"
                           y3="-0.10606"
                           yFract="-0.01256635"
                           z3="8.47367"
                           zFract="0.38135329"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.24997"
                           xFract="0.74051777"
                           y3="2.01571"
                           yFract="0.2388282"
                           z3="4.16757"
                           zFract="0.18755941"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20319"
                           xFract="0.73497512"
                           y3="2.07609"
                           yFract="0.24598223"
                           z3="9.02523"
                           zFract="0.40617597"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00366"
                           xFract="0.00043365"
                           y3="6.32895"
                           yFract="0.74987559"
                           z3="6.37008"
                           zFract="0.28668227"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.1007"
                           xFract="0.2488981"
                           y3="4.20262"
                           yFract="0.49794076"
                           z3="6.29724"
                           zFract="0.28340414"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14778"
                           xFract="-0.01750948"
                           y3="4.27308"
                           yFract="0.5062891"
                           z3="4.34314"
                           zFract="0.19546085"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03779"
                           xFract="0.00447749"
                           y3="4.2168"
                           yFract="0.49962085"
                           z3="8.50231"
                           zFract="0.38264221"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10408"
                           xFract="0.24929858"
                           y3="6.25623"
                           yFract="0.74125948"
                           z3="4.21085"
                           zFract="0.1895072"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04469"
                           xFract="0.24226185"
                           y3="6.40373"
                           yFract="0.75873578"
                           z3="8.47275"
                           zFract="0.38131188"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2082"
                           xFract="0.4986019"
                           y3="6.28004"
                           yFract="0.74408057"
                           z3="6.32678"
                           zFract="0.28473357"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3156"
                           xFract="0.74829384"
                           y3="4.18032"
                           yFract="0.49529858"
                           z3="6.53617"
                           zFract="0.29415707"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3413"
                           xFract="0.51437204"
                           y3="4.22575"
                           yFract="0.50068128"
                           z3="4.25207"
                           zFract="0.19136229"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1509"
                           xFract="0.4918128"
                           y3="4.28501"
                           yFract="0.50770261"
                           z3="8.53965"
                           zFract="0.38432268"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32208"
                           xFract="0.74906161"
                           y3="6.42989"
                           yFract="0.76183531"
                           z3="4.22027"
                           zFract="0.18993114"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3875"
                           xFract="0.7568128"
                           y3="6.37185"
                           yFract="0.75495853"
                           z3="8.56783"
                           zFract="0.38559091"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.67">
                  <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="H"
                           id="a1"
                           x3="2.07432"
                           xFract="0.24577251"
                           y3="2.05196"
                           yFract="0.24312322"
                           z3="9.79223"
                           zFract="0.44069442"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34036"
                           xFract="0.75122749"
                           y3="4.16746"
                           yFract="0.49377488"
                           z3="8.56579"
                           zFract="0.3854991"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12131"
                           xFract="0.25134005"
                           y3="-0.07911"
                           yFract="-0.00937322"
                           z3="8.52416"
                           zFract="0.38362556"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01886"
                           xFract="0.0022346"
                           y3="0.02573"
                           yFract="0.00304858"
                           z3="6.39908"
                           zFract="0.2879874"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10177"
                           xFract="0.24902488"
                           y3="6.30991"
                           yFract="0.74761967"
                           z3="6.36387"
                           zFract="0.28640279"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09159"
                           xFract="0.24781872"
                           y3="2.12023"
                           yFract="0.25121209"
                           z3="6.29151"
                           zFract="0.28314626"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21022"
                           xFract="0.49884123"
                           y3="6.32545"
                           yFract="0.7494609"
                           z3="4.2678"
                           zFract="0.19207021"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22993"
                           xFract="0.50117654"
                           y3="2.10761"
                           yFract="0.24971682"
                           z3="4.23673"
                           zFract="0.19067192"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18932"
                           xFract="0.49636493"
                           y3="4.22198"
                           yFract="0.5002346"
                           z3="6.41112"
                           zFract="0.28852925"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00829"
                           xFract="0.00098223"
                           y3="4.20242"
                           yFract="0.49791706"
                           z3="6.39769"
                           zFract="0.28792484"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00567"
                           xFract="-0.0006718"
                           y3="6.33074"
                           yFract="0.75008768"
                           z3="4.27938"
                           zFract="0.19259136"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.0121"
                           xFract="-0.00143365"
                           y3="6.3433"
                           yFract="0.75157583"
                           z3="8.42174"
                           zFract="0.3790162"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20101"
                           xFract="0.49775"
                           y3="-0.00715"
                           yFract="-0.00084716"
                           z3="6.40017"
                           zFract="0.28803645"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00636"
                           xFract="-0.00075355"
                           y3="2.13142"
                           yFract="0.25253791"
                           z3="4.23345"
                           zFract="0.1905243"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.20825"
                           xFract="-0.02467417"
                           y3="2.15913"
                           yFract="0.25582109"
                           z3="8.45755"
                           zFract="0.38062781"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08813"
                           xFract="0.24740877"
                           y3="4.20015"
                           yFract="0.4976481"
                           z3="4.21856"
                           zFract="0.18985419"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33324"
                           xFract="0.75038389"
                           y3="0.02067"
                           yFract="0.00244905"
                           z3="4.2294"
                           zFract="0.19034203"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.08044"
                           xFract="0.24649763"
                           y3="4.32598"
                           yFract="0.51255687"
                           z3="8.59626"
                           zFract="0.38687039"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.34569"
                           xFract="0.751859"
                           y3="2.12498"
                           yFract="0.25177488"
                           z3="6.3767"
                           zFract="0.2869802"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09671"
                           xFract="0.24842536"
                           y3="0.0064"
                           yFract="0.00075829"
                           z3="4.23132"
                           zFract="0.19042844"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25279"
                           xFract="0.50388507"
                           y3="6.30009"
                           yFract="0.74645616"
                           z3="8.49356"
                           zFract="0.38224842"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31019"
                           xFract="0.74765284"
                           y3="6.36119"
                           yFract="0.7536955"
                           z3="6.38339"
                           zFract="0.28728128"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.32838"
                           xFract="0.74980806"
                           y3="4.17212"
                           yFract="0.49432701"
                           z3="4.27448"
                           zFract="0.19237084"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30949"
                           xFract="0.74756991"
                           y3="0.06145"
                           yFract="0.00728081"
                           z3="8.55968"
                           zFract="0.38522412"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.32071"
                           xFract="0.51193246"
                           y3="2.1611"
                           yFract="0.2560545"
                           z3="8.51403"
                           zFract="0.38316967"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.05804"
                           xFract="0.00687678"
                           y3="2.11915"
                           yFract="0.25108412"
                           z3="6.30869"
                           zFract="0.28391944"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97475"
                           xFract="0.23397512"
                           y3="0.0195"
                           yFract="0.00231043"
                           z3="6.41875"
                           zFract="0.28887264"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.08345"
                           xFract="0.00988744"
                           y3="-0.03826"
                           yFract="-0.00453318"
                           z3="4.28536"
                           zFract="0.19286049"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10664"
                           xFract="0.01263507"
                           y3="0.07068"
                           yFract="0.00837441"
                           z3="8.43606"
                           zFract="0.37966067"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19259"
                           xFract="0.25978555"
                           y3="2.1667"
                           yFract="0.25671801"
                           z3="4.24104"
                           zFract="0.19086589"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29952"
                           xFract="0.27245498"
                           y3="1.96456"
                           yFract="0.23276777"
                           z3="8.83966"
                           zFract="0.39782448"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14662"
                           xFract="0.49130569"
                           y3="2.15302"
                           yFract="0.25509716"
                           z3="6.40117"
                           zFract="0.28808146"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48545"
                           xFract="0.76841825"
                           y3="0.06461"
                           yFract="0.00765521"
                           z3="6.43247"
                           zFract="0.2894901"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12129"
                           xFract="0.4883045"
                           y3="-0.01017"
                           yFract="-0.00120498"
                           z3="4.30124"
                           zFract="0.19357516"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.11937"
                           xFract="0.48807701"
                           y3="-0.10632"
                           yFract="-0.01259716"
                           z3="8.4733"
                           zFract="0.38133663"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25009"
                           xFract="0.74053199"
                           y3="2.01585"
                           yFract="0.23884479"
                           z3="4.1679"
                           zFract="0.18757426"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20365"
                           xFract="0.73502962"
                           y3="2.07621"
                           yFract="0.24599645"
                           z3="9.02827"
                           zFract="0.40631278"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00352"
                           xFract="0.00041706"
                           y3="6.32877"
                           yFract="0.74985427"
                           z3="6.37028"
                           zFract="0.28669127"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10083"
                           xFract="0.24891351"
                           y3="4.20264"
                           yFract="0.49794313"
                           z3="6.29745"
                           zFract="0.28341359"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14768"
                           xFract="-0.01749763"
                           y3="4.27346"
                           yFract="0.50633412"
                           z3="4.34339"
                           zFract="0.1954721"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03735"
                           xFract="0.00442536"
                           y3="4.21658"
                           yFract="0.49959479"
                           z3="8.50249"
                           zFract="0.38265032"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10406"
                           xFract="0.24929621"
                           y3="6.2565"
                           yFract="0.74129147"
                           z3="4.21087"
                           zFract="0.1895081"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04441"
                           xFract="0.24222867"
                           y3="6.40319"
                           yFract="0.7586718"
                           z3="8.47322"
                           zFract="0.38133303"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20847"
                           xFract="0.49863389"
                           y3="6.27978"
                           yFract="0.74404976"
                           z3="6.32673"
                           zFract="0.28473132"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31567"
                           xFract="0.74830213"
                           y3="4.18031"
                           yFract="0.49529739"
                           z3="6.53661"
                           zFract="0.29417687"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.34134"
                           xFract="0.51437678"
                           y3="4.22567"
                           yFract="0.5006718"
                           z3="4.25212"
                           zFract="0.19136454"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15085"
                           xFract="0.49180687"
                           y3="4.2854"
                           yFract="0.50774882"
                           z3="8.5399"
                           zFract="0.38433393"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32217"
                           xFract="0.74907227"
                           y3="6.42931"
                           yFract="0.76176659"
                           z3="4.22074"
                           zFract="0.1899523"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38718"
                           xFract="0.75677488"
                           y3="6.37181"
                           yFract="0.75495379"
                           z3="8.56787"
                           zFract="0.38559271"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.68">
                  <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="H"
                           id="a1"
                           x3="2.07497"
                           xFract="0.24584953"
                           y3="2.05227"
                           yFract="0.24315995"
                           z3="9.78922"
                           zFract="0.44055896"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33999"
                           xFract="0.75118365"
                           y3="4.16721"
                           yFract="0.49374526"
                           z3="8.56692"
                           zFract="0.38554995"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12158"
                           xFract="0.25137204"
                           y3="-0.07495"
                           yFract="-0.00888033"
                           z3="8.52318"
                           zFract="0.38358146"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02062"
                           xFract="0.00244313"
                           y3="0.02673"
                           yFract="0.00316706"
                           z3="6.40037"
                           zFract="0.28804545"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10203"
                           xFract="0.24905569"
                           y3="6.31059"
                           yFract="0.74770024"
                           z3="6.36363"
                           zFract="0.28639199"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09273"
                           xFract="0.24795379"
                           y3="2.11975"
                           yFract="0.25115521"
                           z3="6.2939"
                           zFract="0.28325383"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21036"
                           xFract="0.49885782"
                           y3="6.32485"
                           yFract="0.74938981"
                           z3="4.26767"
                           zFract="0.19206436"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23011"
                           xFract="0.50119787"
                           y3="2.10746"
                           yFract="0.24969905"
                           z3="4.23696"
                           zFract="0.19068227"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18957"
                           xFract="0.49639455"
                           y3="4.22161"
                           yFract="0.50019076"
                           z3="6.41176"
                           zFract="0.28855806"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00828"
                           xFract="0.00098104"
                           y3="4.2018"
                           yFract="0.4978436"
                           z3="6.39737"
                           zFract="0.28791044"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00515"
                           xFract="-0.00061019"
                           y3="6.33058"
                           yFract="0.75006872"
                           z3="4.27986"
                           zFract="0.19261296"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01342"
                           xFract="-0.00159005"
                           y3="6.34343"
                           yFract="0.75159123"
                           z3="8.42267"
                           zFract="0.37905806"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20103"
                           xFract="0.49775237"
                           y3="-0.00658"
                           yFract="-0.00077962"
                           z3="6.39902"
                           zFract="0.2879847"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00668"
                           xFract="-0.00079147"
                           y3="2.13185"
                           yFract="0.25258886"
                           z3="4.23457"
                           zFract="0.19057471"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.21033"
                           xFract="-0.02492062"
                           y3="2.15924"
                           yFract="0.25583412"
                           z3="8.45636"
                           zFract="0.38057426"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08796"
                           xFract="0.24738863"
                           y3="4.20027"
                           yFract="0.49766232"
                           z3="4.21931"
                           zFract="0.18988794"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33319"
                           xFract="0.75037796"
                           y3="0.02159"
                           yFract="0.00255806"
                           z3="4.22923"
                           zFract="0.19033438"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07918"
                           xFract="0.24634834"
                           y3="4.32523"
                           yFract="0.51246801"
                           z3="8.59632"
                           zFract="0.38687309"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.34453"
                           xFract="0.75172156"
                           y3="2.12529"
                           yFract="0.25181161"
                           z3="6.37687"
                           zFract="0.28698785"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.0965"
                           xFract="0.24840047"
                           y3="0.00661"
                           yFract="0.00078318"
                           z3="4.23156"
                           zFract="0.19043924"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25454"
                           xFract="0.50409242"
                           y3="6.29981"
                           yFract="0.74642299"
                           z3="8.49339"
                           zFract="0.38224077"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31133"
                           xFract="0.74778791"
                           y3="6.36124"
                           yFract="0.75370142"
                           z3="6.3852"
                           zFract="0.28736274"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.32794"
                           xFract="0.74975592"
                           y3="4.1726"
                           yFract="0.49438389"
                           z3="4.27461"
                           zFract="0.19237669"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31063"
                           xFract="0.74770498"
                           y3="0.06173"
                           yFract="0.00731398"
                           z3="8.56115"
                           zFract="0.38529028"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.31899"
                           xFract="0.51172867"
                           y3="2.1609"
                           yFract="0.25603081"
                           z3="8.51554"
                           zFract="0.38323762"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.05889"
                           xFract="0.00697749"
                           y3="2.12077"
                           yFract="0.25127607"
                           z3="6.31059"
                           zFract="0.28400495"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97389"
                           xFract="0.23387322"
                           y3="0.01911"
                           yFract="0.00226422"
                           z3="6.4186"
                           zFract="0.28886589"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.08288"
                           xFract="0.00981991"
                           y3="-0.03861"
                           yFract="-0.00457464"
                           z3="4.28695"
                           zFract="0.19293204"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10475"
                           xFract="0.01241114"
                           y3="0.07056"
                           yFract="0.00836019"
                           z3="8.4365"
                           zFract="0.37968047"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19277"
                           xFract="0.25980687"
                           y3="2.16591"
                           yFract="0.25662441"
                           z3="4.24188"
                           zFract="0.19090369"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30091"
                           xFract="0.27261967"
                           y3="1.96387"
                           yFract="0.23268602"
                           z3="8.84163"
                           zFract="0.39791314"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14623"
                           xFract="0.49125948"
                           y3="2.15237"
                           yFract="0.25502014"
                           z3="6.40292"
                           zFract="0.28816022"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48364"
                           xFract="0.76820379"
                           y3="0.0651"
                           yFract="0.00771327"
                           z3="6.43418"
                           zFract="0.28956706"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12148"
                           xFract="0.48832701"
                           y3="-0.01054"
                           yFract="-0.00124882"
                           z3="4.29967"
                           zFract="0.1935045"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.11948"
                           xFract="0.48809005"
                           y3="-0.1071"
                           yFract="-0.01268957"
                           z3="8.47218"
                           zFract="0.38128623"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25048"
                           xFract="0.7405782"
                           y3="2.0163"
                           yFract="0.2388981"
                           z3="4.16888"
                           zFract="0.18761836"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20503"
                           xFract="0.73519313"
                           y3="2.07658"
                           yFract="0.24604028"
                           z3="9.03739"
                           zFract="0.40672322"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00312"
                           xFract="0.00036967"
                           y3="6.32823"
                           yFract="0.74979028"
                           z3="6.37088"
                           zFract="0.28671827"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10125"
                           xFract="0.24896327"
                           y3="4.20271"
                           yFract="0.49795142"
                           z3="6.29808"
                           zFract="0.28344194"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14735"
                           xFract="-0.01745853"
                           y3="4.27462"
                           yFract="0.50647156"
                           z3="4.34416"
                           zFract="0.19550675"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03604"
                           xFract="0.00427014"
                           y3="4.21592"
                           yFract="0.49951659"
                           z3="8.50305"
                           zFract="0.38267552"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1040"
                           xFract="0.2492891"
                           y3="6.25732"
                           yFract="0.74138863"
                           z3="4.21094"
                           zFract="0.18951125"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04354"
                           xFract="0.24212559"
                           y3="6.40156"
                           yFract="0.75847867"
                           z3="8.47462"
                           zFract="0.38139604"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20929"
                           xFract="0.49873104"
                           y3="6.2790"
                           yFract="0.74395735"
                           z3="6.32657"
                           zFract="0.28472412"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31589"
                           xFract="0.7483282"
                           y3="4.18028"
                           yFract="0.49529384"
                           z3="6.53793"
                           zFract="0.29423627"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.34147"
                           xFract="0.51439218"
                           y3="4.22542"
                           yFract="0.50064218"
                           z3="4.25226"
                           zFract="0.19137084"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15071"
                           xFract="0.49179028"
                           y3="4.28656"
                           yFract="0.50788626"
                           z3="8.54063"
                           zFract="0.38436679"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32243"
                           xFract="0.74910308"
                           y3="6.42757"
                           yFract="0.76156043"
                           z3="4.22214"
                           zFract="0.1900153"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38623"
                           xFract="0.75666232"
                           y3="6.37169"
                           yFract="0.75493957"
                           z3="8.56799"
                           zFract="0.38559811"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.69">
                  <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="H"
                           id="a1"
                           x3="2.07518"
                           xFract="0.24587441"
                           y3="2.05237"
                           yFract="0.2431718"
                           z3="9.78825"
                           zFract="0.4405153"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33988"
                           xFract="0.75117062"
                           y3="4.16713"
                           yFract="0.49373578"
                           z3="8.56729"
                           zFract="0.38556661"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12167"
                           xFract="0.2513827"
                           y3="-0.07361"
                           yFract="-0.00872156"
                           z3="8.52287"
                           zFract="0.38356751"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02119"
                           xFract="0.00251066"
                           y3="0.02706"
                           yFract="0.00320616"
                           z3="6.40079"
                           zFract="0.28806436"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10212"
                           xFract="0.24906635"
                           y3="6.31081"
                           yFract="0.7477263"
                           z3="6.36356"
                           zFract="0.28638884"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09309"
                           xFract="0.24799645"
                           y3="2.1196"
                           yFract="0.25113744"
                           z3="6.29467"
                           zFract="0.28328848"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2104"
                           xFract="0.49886256"
                           y3="6.32465"
                           yFract="0.74936611"
                           z3="4.26763"
                           zFract="0.19206256"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23017"
                           xFract="0.50120498"
                           y3="2.1074"
                           yFract="0.24969194"
                           z3="4.23704"
                           zFract="0.19068587"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18965"
                           xFract="0.49640403"
                           y3="4.22149"
                           yFract="0.50017654"
                           z3="6.41196"
                           zFract="0.28856706"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00828"
                           xFract="0.00098104"
                           y3="4.20159"
                           yFract="0.49781872"
                           z3="6.39726"
                           zFract="0.28790549"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00497"
                           xFract="-0.00058886"
                           y3="6.33052"
                           yFract="0.75006161"
                           z3="4.28002"
                           zFract="0.19262016"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01385"
                           xFract="-0.001641"
                           y3="6.34347"
                           yFract="0.75159597"
                           z3="8.42297"
                           zFract="0.37907156"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20103"
                           xFract="0.49775237"
                           y3="-0.00639"
                           yFract="-0.00075711"
                           z3="6.39865"
                           zFract="0.28796805"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00678"
                           xFract="-0.00080332"
                           y3="2.13199"
                           yFract="0.25260545"
                           z3="4.23493"
                           zFract="0.19059091"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.2110"
                           xFract="-0.0250"
                           y3="2.15928"
                           yFract="0.25583886"
                           z3="8.45597"
                           zFract="0.38055671"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.0879"
                           xFract="0.24738152"
                           y3="4.20031"
                           yFract="0.49766706"
                           z3="4.21956"
                           zFract="0.18989919"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33318"
                           xFract="0.75037678"
                           y3="0.02189"
                           yFract="0.0025936"
                           z3="4.22918"
                           zFract="0.19033213"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07878"
                           xFract="0.24630095"
                           y3="4.32499"
                           yFract="0.51243957"
                           z3="8.59634"
                           zFract="0.38687399"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.34416"
                           xFract="0.75167773"
                           y3="2.12539"
                           yFract="0.25182346"
                           z3="6.37693"
                           zFract="0.28699055"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09643"
                           xFract="0.24839218"
                           y3="0.00667"
                           yFract="0.00079028"
                           z3="4.23164"
                           zFract="0.19044284"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25511"
                           xFract="0.50415995"
                           y3="6.29972"
                           yFract="0.74641232"
                           z3="8.49334"
                           zFract="0.38223852"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31169"
                           xFract="0.74783057"
                           y3="6.36125"
                           yFract="0.75370261"
                           z3="6.38578"
                           zFract="0.28738884"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3278"
                           xFract="0.74973934"
                           y3="4.17275"
                           yFract="0.49440166"
                           z3="4.27465"
                           zFract="0.19237849"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3110"
                           xFract="0.74774882"
                           y3="0.06183"
                           yFract="0.00732583"
                           z3="8.56163"
                           zFract="0.38531188"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.31844"
                           xFract="0.51166351"
                           y3="2.16083"
                           yFract="0.25602251"
                           z3="8.51603"
                           zFract="0.38325968"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.05917"
                           xFract="0.00701066"
                           y3="2.12129"
                           yFract="0.25133768"
                           z3="6.3112"
                           zFract="0.2840324"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97361"
                           xFract="0.23384005"
                           y3="0.01898"
                           yFract="0.00224882"
                           z3="6.41856"
                           zFract="0.28886409"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0827"
                           xFract="0.00979858"
                           y3="-0.03872"
                           yFract="-0.00458768"
                           z3="4.28746"
                           zFract="0.192955"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10414"
                           xFract="0.01233886"
                           y3="0.07052"
                           yFract="0.00835545"
                           z3="8.43664"
                           zFract="0.37968677"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19283"
                           xFract="0.25981398"
                           y3="2.16566"
                           yFract="0.25659479"
                           z3="4.24215"
                           zFract="0.19091584"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30135"
                           xFract="0.2726718"
                           y3="1.96365"
                           yFract="0.23265995"
                           z3="8.84227"
                           zFract="0.39794194"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.1461"
                           xFract="0.49124408"
                           y3="2.15215"
                           yFract="0.25499408"
                           z3="6.40349"
                           zFract="0.28818587"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48305"
                           xFract="0.76813389"
                           y3="0.06526"
                           yFract="0.00773223"
                           z3="6.43474"
                           zFract="0.28959226"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12154"
                           xFract="0.48833412"
                           y3="-0.01066"
                           yFract="-0.00126303"
                           z3="4.29916"
                           zFract="0.19348155"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.11951"
                           xFract="0.4880936"
                           y3="-0.10735"
                           yFract="-0.01271919"
                           z3="8.47182"
                           zFract="0.38127003"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25061"
                           xFract="0.7405936"
                           y3="2.01644"
                           yFract="0.23891469"
                           z3="4.1692"
                           zFract="0.18763276"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20547"
                           xFract="0.73524526"
                           y3="2.0767"
                           yFract="0.2460545"
                           z3="9.04034"
                           zFract="0.40685599"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00299"
                           xFract="0.00035427"
                           y3="6.32806"
                           yFract="0.74977014"
                           z3="6.37108"
                           zFract="0.28672727"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10138"
                           xFract="0.24897867"
                           y3="4.20273"
                           yFract="0.49795379"
                           z3="6.29828"
                           zFract="0.28345095"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14724"
                           xFract="-0.0174455"
                           y3="4.27499"
                           yFract="0.5065154"
                           z3="4.34441"
                           zFract="0.195518"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03561"
                           xFract="0.00421919"
                           y3="4.21571"
                           yFract="0.49949171"
                           z3="8.50323"
                           zFract="0.38268362"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10398"
                           xFract="0.24928673"
                           y3="6.25759"
                           yFract="0.74142062"
                           z3="4.21097"
                           zFract="0.1895126"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04326"
                           xFract="0.24209242"
                           y3="6.40104"
                           yFract="0.75841706"
                           z3="8.47508"
                           zFract="0.38141674"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20956"
                           xFract="0.49876303"
                           y3="6.27875"
                           yFract="0.74392773"
                           z3="6.32652"
                           zFract="0.28472187"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31596"
                           xFract="0.74833649"
                           y3="4.18026"
                           yFract="0.49529147"
                           z3="6.53836"
                           zFract="0.29425563"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.34151"
                           xFract="0.51439692"
                           y3="4.22534"
                           yFract="0.5006327"
                           z3="4.2523"
                           zFract="0.19137264"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15066"
                           xFract="0.49178436"
                           y3="4.28694"
                           yFract="0.50793128"
                           z3="8.54087"
                           zFract="0.38437759"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32252"
                           xFract="0.74911374"
                           y3="6.42701"
                           yFract="0.76149408"
                           z3="4.2226"
                           zFract="0.190036"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38592"
                           xFract="0.75662559"
                           y3="6.37165"
                           yFract="0.75493483"
                           z3="8.56803"
                           zFract="0.38559991"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.70">
                  <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="H"
                           id="a1"
                           x3="2.07499"
                           xFract="0.2458519"
                           y3="2.05265"
                           yFract="0.24320498"
                           z3="9.78789"
                           zFract="0.4404991"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33981"
                           xFract="0.75116232"
                           y3="4.16703"
                           yFract="0.49372393"
                           z3="8.56753"
                           zFract="0.38557741"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12179"
                           xFract="0.25139692"
                           y3="-0.07398"
                           yFract="-0.0087654"
                           z3="8.52265"
                           zFract="0.38355761"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02068"
                           xFract="0.00245024"
                           y3="0.0271"
                           yFract="0.0032109"
                           z3="6.4010"
                           zFract="0.28807381"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10221"
                           xFract="0.24907701"
                           y3="6.31087"
                           yFract="0.74773341"
                           z3="6.36374"
                           zFract="0.28639694"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09309"
                           xFract="0.24799645"
                           y3="2.11961"
                           yFract="0.25113863"
                           z3="6.29494"
                           zFract="0.28330063"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21058"
                           xFract="0.49888389"
                           y3="6.32454"
                           yFract="0.74935308"
                           z3="4.26764"
                           zFract="0.19206301"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23019"
                           xFract="0.50120735"
                           y3="2.10739"
                           yFract="0.24969076"
                           z3="4.23704"
                           zFract="0.19068587"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18965"
                           xFract="0.49640403"
                           y3="4.22153"
                           yFract="0.50018128"
                           z3="6.41204"
                           zFract="0.28857066"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00829"
                           xFract="0.00098223"
                           y3="4.20164"
                           yFract="0.49782464"
                           z3="6.39729"
                           zFract="0.28790684"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00508"
                           xFract="-0.0006019"
                           y3="6.33051"
                           yFract="0.75006043"
                           z3="4.28007"
                           zFract="0.19262241"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.0139"
                           xFract="-0.00164692"
                           y3="6.34352"
                           yFract="0.7516019"
                           z3="8.42305"
                           zFract="0.37907516"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20115"
                           xFract="0.49776659"
                           y3="-0.00639"
                           yFract="-0.00075711"
                           z3="6.39847"
                           zFract="0.28795995"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00681"
                           xFract="-0.00080687"
                           y3="2.13211"
                           yFract="0.25261967"
                           z3="4.23518"
                           zFract="0.19060216"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.21159"
                           xFract="-0.02506991"
                           y3="2.15935"
                           yFract="0.25584716"
                           z3="8.45556"
                           zFract="0.38053825"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08786"
                           xFract="0.24737678"
                           y3="4.20028"
                           yFract="0.49766351"
                           z3="4.21979"
                           zFract="0.18990954"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3332"
                           xFract="0.75037915"
                           y3="0.02178"
                           yFract="0.00258057"
                           z3="4.22936"
                           zFract="0.19034023"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07856"
                           xFract="0.24627488"
                           y3="4.32503"
                           yFract="0.51244431"
                           z3="8.59621"
                           zFract="0.38686814"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.34397"
                           xFract="0.75165521"
                           y3="2.12533"
                           yFract="0.25181635"
                           z3="6.37722"
                           zFract="0.2870036"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09637"
                           xFract="0.24838507"
                           y3="0.00669"
                           yFract="0.00079265"
                           z3="4.2316"
                           zFract="0.19044104"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25524"
                           xFract="0.50417536"
                           y3="6.29978"
                           yFract="0.74641943"
                           z3="8.49334"
                           zFract="0.38223852"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31192"
                           xFract="0.74785782"
                           y3="6.36131"
                           yFract="0.75370972"
                           z3="6.38592"
                           zFract="0.28739514"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.32795"
                           xFract="0.74975711"
                           y3="4.17301"
                           yFract="0.49443246"
                           z3="4.27467"
                           zFract="0.19237939"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31113"
                           xFract="0.74776422"
                           y3="0.06203"
                           yFract="0.00734953"
                           z3="8.5620"
                           zFract="0.38532853"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.31922"
                           xFract="0.51175592"
                           y3="2.1608"
                           yFract="0.25601896"
                           z3="8.5165"
                           zFract="0.38328083"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.05929"
                           xFract="0.00702488"
                           y3="2.12161"
                           yFract="0.25137559"
                           z3="6.31171"
                           zFract="0.28405536"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97375"
                           xFract="0.23385664"
                           y3="0.01883"
                           yFract="0.00223104"
                           z3="6.41864"
                           zFract="0.28886769"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.08246"
                           xFract="0.00977014"
                           y3="-0.03878"
                           yFract="-0.00459479"
                           z3="4.28769"
                           zFract="0.19296535"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10397"
                           xFract="0.01231872"
                           y3="0.07063"
                           yFract="0.00836848"
                           z3="8.4368"
                           zFract="0.37969397"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19292"
                           xFract="0.25982464"
                           y3="2.16541"
                           yFract="0.25656517"
                           z3="4.2425"
                           zFract="0.19093159"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30154"
                           xFract="0.27269431"
                           y3="1.96354"
                           yFract="0.23264692"
                           z3="8.84246"
                           zFract="0.3979505"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14597"
                           xFract="0.49122867"
                           y3="2.15203"
                           yFract="0.25497986"
                           z3="6.40395"
                           zFract="0.28820657"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48311"
                           xFract="0.768141"
                           y3="0.06542"
                           yFract="0.00775118"
                           z3="6.4352"
                           zFract="0.28961296"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12168"
                           xFract="0.48835071"
                           y3="-0.01069"
                           yFract="-0.00126659"
                           z3="4.29894"
                           zFract="0.19347165"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.11954"
                           xFract="0.48809716"
                           y3="-0.10737"
                           yFract="-0.01272156"
                           z3="8.47152"
                           zFract="0.38125653"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25079"
                           xFract="0.74061493"
                           y3="2.01671"
                           yFract="0.23894668"
                           z3="4.16924"
                           zFract="0.18763456"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20513"
                           xFract="0.73520498"
                           y3="2.07683"
                           yFract="0.24606991"
                           z3="9.04138"
                           zFract="0.40690279"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00288"
                           xFract="0.00034123"
                           y3="6.32787"
                           yFract="0.74974763"
                           z3="6.37125"
                           zFract="0.28673492"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10152"
                           xFract="0.24899526"
                           y3="4.20272"
                           yFract="0.49795261"
                           z3="6.29836"
                           zFract="0.28345455"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14717"
                           xFract="-0.0174372"
                           y3="4.27513"
                           yFract="0.50653199"
                           z3="4.34454"
                           zFract="0.19552385"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03549"
                           xFract="0.00420498"
                           y3="4.21545"
                           yFract="0.4994609"
                           z3="8.5034"
                           zFract="0.38269127"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10402"
                           xFract="0.24929147"
                           y3="6.25791"
                           yFract="0.74145853"
                           z3="4.21097"
                           zFract="0.1895126"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04305"
                           xFract="0.24206754"
                           y3="6.40138"
                           yFract="0.75845735"
                           z3="8.47533"
                           zFract="0.38142799"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20972"
                           xFract="0.49878199"
                           y3="6.2787"
                           yFract="0.7439218"
                           z3="6.32638"
                           zFract="0.28471557"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31585"
                           xFract="0.74832346"
                           y3="4.18007"
                           yFract="0.49526896"
                           z3="6.53865"
                           zFract="0.29426868"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.34142"
                           xFract="0.51438626"
                           y3="4.22517"
                           yFract="0.50061256"
                           z3="4.25225"
                           zFract="0.19137039"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15053"
                           xFract="0.49176896"
                           y3="4.28693"
                           yFract="0.50793009"
                           z3="8.54106"
                           zFract="0.38438614"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3225"
                           xFract="0.74911137"
                           y3="6.42668"
                           yFract="0.76145498"
                           z3="4.22273"
                           zFract="0.19004185"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3858"
                           xFract="0.75661137"
                           y3="6.37167"
                           yFract="0.7549372"
                           z3="8.56826"
                           zFract="0.38561026"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.71">
                  <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="H"
                           id="a1"
                           x3="2.07443"
                           xFract="0.24578555"
                           y3="2.05347"
                           yFract="0.24330213"
                           z3="9.7868"
                           zFract="0.44045005"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3396"
                           xFract="0.75113744"
                           y3="4.16675"
                           yFract="0.49369076"
                           z3="8.56826"
                           zFract="0.38561026"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12216"
                           xFract="0.25144076"
                           y3="-0.07509"
                           yFract="-0.00889692"
                           z3="8.5220"
                           zFract="0.38352835"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01917"
                           xFract="0.00227133"
                           y3="0.02722"
                           yFract="0.00322512"
                           z3="6.40163"
                           zFract="0.28810216"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10248"
                           xFract="0.249109"
                           y3="6.31103"
                           yFract="0.74775237"
                           z3="6.36428"
                           zFract="0.28642124"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09306"
                           xFract="0.24799289"
                           y3="2.11963"
                           yFract="0.251141"
                           z3="6.29577"
                           zFract="0.28333798"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21111"
                           xFract="0.49894668"
                           y3="6.32423"
                           yFract="0.74931635"
                           z3="4.26768"
                           zFract="0.19206481"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23024"
                           xFract="0.50121327"
                           y3="2.10736"
                           yFract="0.2496872"
                           z3="4.23705"
                           zFract="0.19068632"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18965"
                           xFract="0.49640403"
                           y3="4.22165"
                           yFract="0.5001955"
                           z3="6.41227"
                           zFract="0.28858101"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00832"
                           xFract="0.00098578"
                           y3="4.20178"
                           yFract="0.49784123"
                           z3="6.39736"
                           zFract="0.28790999"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00541"
                           xFract="-0.000641"
                           y3="6.33046"
                           yFract="0.7500545"
                           z3="4.28023"
                           zFract="0.19262961"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01404"
                           xFract="-0.00166351"
                           y3="6.34367"
                           yFract="0.75161967"
                           z3="8.42326"
                           zFract="0.37908461"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20149"
                           xFract="0.49780687"
                           y3="-0.0064"
                           yFract="-0.00075829"
                           z3="6.39794"
                           zFract="0.28793609"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00689"
                           xFract="-0.00081635"
                           y3="2.13248"
                           yFract="0.25266351"
                           z3="4.23594"
                           zFract="0.19063636"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.21336"
                           xFract="-0.02527962"
                           y3="2.15956"
                           yFract="0.25587204"
                           z3="8.45434"
                           zFract="0.38048335"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08775"
                           xFract="0.24736374"
                           y3="4.20019"
                           yFract="0.49765284"
                           z3="4.22051"
                           zFract="0.18994194"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33327"
                           xFract="0.75038744"
                           y3="0.02145"
                           yFract="0.00254147"
                           z3="4.2299"
                           zFract="0.19036454"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07791"
                           xFract="0.24619787"
                           y3="4.32516"
                           yFract="0.51245972"
                           z3="8.59582"
                           zFract="0.38685059"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.34341"
                           xFract="0.75158886"
                           y3="2.12517"
                           yFract="0.25179739"
                           z3="6.37809"
                           zFract="0.28704275"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09618"
                           xFract="0.24836256"
                           y3="0.00674"
                           yFract="0.00079858"
                           z3="4.23146"
                           zFract="0.19043474"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25564"
                           xFract="0.50422275"
                           y3="6.29997"
                           yFract="0.74644194"
                           z3="8.49334"
                           zFract="0.38223852"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31258"
                           xFract="0.74793602"
                           y3="6.36148"
                           yFract="0.75372986"
                           z3="6.38633"
                           zFract="0.28741359"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.32842"
                           xFract="0.7498128"
                           y3="4.1738"
                           yFract="0.49452607"
                           z3="4.27475"
                           zFract="0.19238299"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31152"
                           xFract="0.74781043"
                           y3="0.06264"
                           yFract="0.0074218"
                           z3="8.5631"
                           zFract="0.38537804"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.32158"
                           xFract="0.51203555"
                           y3="2.1607"
                           yFract="0.25600711"
                           z3="8.51788"
                           zFract="0.38334293"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.05965"
                           xFract="0.00706754"
                           y3="2.12256"
                           yFract="0.25148815"
                           z3="6.31323"
                           zFract="0.28412376"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.9742"
                           xFract="0.23390995"
                           y3="0.01839"
                           yFract="0.00217891"
                           z3="6.41889"
                           zFract="0.28887894"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.08175"
                           xFract="0.00968602"
                           y3="-0.03897"
                           yFract="-0.0046173"
                           z3="4.28838"
                           zFract="0.1929964"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10348"
                           xFract="0.01226066"
                           y3="0.07096"
                           yFract="0.00840758"
                           z3="8.43726"
                           zFract="0.37971467"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19317"
                           xFract="0.25985427"
                           y3="2.16467"
                           yFract="0.25647749"
                           z3="4.24355"
                           zFract="0.19097885"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30209"
                           xFract="0.27275948"
                           y3="1.96324"
                           yFract="0.23261137"
                           z3="8.84303"
                           zFract="0.39797615"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14557"
                           xFract="0.49118128"
                           y3="2.15164"
                           yFract="0.25493365"
                           z3="6.40531"
                           zFract="0.28826778"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48328"
                           xFract="0.76816114"
                           y3="0.06589"
                           yFract="0.00780687"
                           z3="6.4366"
                           zFract="0.28967597"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.1221"
                           xFract="0.48840047"
                           y3="-0.01079"
                           yFract="-0.00127844"
                           z3="4.2983"
                           zFract="0.19344284"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.11965"
                           xFract="0.48811019"
                           y3="-0.10743"
                           yFract="-0.01272867"
                           z3="8.47063"
                           zFract="0.38121647"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25133"
                           xFract="0.74067891"
                           y3="2.01753"
                           yFract="0.23904384"
                           z3="4.16939"
                           zFract="0.18764131"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20411"
                           xFract="0.73508412"
                           y3="2.07723"
                           yFract="0.2461173"
                           z3="9.04451"
                           zFract="0.40704365"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00256"
                           xFract="0.00030332"
                           y3="6.32731"
                           yFract="0.74968128"
                           z3="6.37175"
                           zFract="0.28675743"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10193"
                           xFract="0.24904384"
                           y3="4.2027"
                           yFract="0.49795024"
                           z3="6.29861"
                           zFract="0.2834658"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14694"
                           xFract="-0.01740995"
                           y3="4.27556"
                           yFract="0.50658294"
                           z3="4.34496"
                           zFract="0.19554275"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03515"
                           xFract="0.00416469"
                           y3="4.21468"
                           yFract="0.49936967"
                           z3="8.50392"
                           zFract="0.38271467"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10416"
                           xFract="0.24930806"
                           y3="6.25887"
                           yFract="0.74157227"
                           z3="4.21097"
                           zFract="0.1895126"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04242"
                           xFract="0.24199289"
                           y3="6.40242"
                           yFract="0.75858057"
                           z3="8.4761"
                           zFract="0.38146265"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21022"
                           xFract="0.49884123"
                           y3="6.27855"
                           yFract="0.74390403"
                           z3="6.32594"
                           zFract="0.28469577"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31553"
                           xFract="0.74828555"
                           y3="4.1795"
                           yFract="0.49520142"
                           z3="6.53954"
                           zFract="0.29430873"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.34117"
                           xFract="0.51435664"
                           y3="4.22466"
                           yFract="0.50055213"
                           z3="4.2521"
                           zFract="0.19136364"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.15015"
                           xFract="0.49172393"
                           y3="4.28689"
                           yFract="0.50792536"
                           z3="8.54164"
                           zFract="0.38441224"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32244"
                           xFract="0.74910427"
                           y3="6.4257"
                           yFract="0.76133886"
                           z3="4.22313"
                           zFract="0.19005986"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38544"
                           xFract="0.75656872"
                           y3="6.37172"
                           yFract="0.75494313"
                           z3="8.56894"
                           zFract="0.38564086"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.72">
                  <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="H"
                           id="a1"
                           x3="2.07332"
                           xFract="0.24565403"
                           y3="2.0551"
                           yFract="0.24349526"
                           z3="9.78461"
                           zFract="0.44035149"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33919"
                           xFract="0.75108886"
                           y3="4.16619"
                           yFract="0.49362441"
                           z3="8.56972"
                           zFract="0.38567597"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12289"
                           xFract="0.25152725"
                           y3="-0.0773"
                           yFract="-0.00915877"
                           z3="8.52069"
                           zFract="0.3834694"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01614"
                           xFract="0.00191232"
                           y3="0.02748"
                           yFract="0.00325592"
                           z3="6.40289"
                           zFract="0.28815887"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10302"
                           xFract="0.24917299"
                           y3="6.31135"
                           yFract="0.74779028"
                           z3="6.36537"
                           zFract="0.2864703"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09301"
                           xFract="0.24798697"
                           y3="2.11967"
                           yFract="0.25114573"
                           z3="6.29741"
                           zFract="0.28341179"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21218"
                           xFract="0.49907346"
                           y3="6.32359"
                           yFract="0.74924052"
                           z3="4.26776"
                           zFract="0.19206841"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23033"
                           xFract="0.50122393"
                           y3="2.1073"
                           yFract="0.24968009"
                           z3="4.23708"
                           zFract="0.19068767"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18964"
                           xFract="0.49640284"
                           y3="4.2219"
                           yFract="0.50022512"
                           z3="6.41273"
                           zFract="0.28860171"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00839"
                           xFract="0.00099408"
                           y3="4.20206"
                           yFract="0.49787441"
                           z3="6.39752"
                           zFract="0.28791719"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00606"
                           xFract="-0.00071801"
                           y3="6.33038"
                           yFract="0.75004502"
                           z3="4.28055"
                           zFract="0.19264401"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01433"
                           xFract="-0.00169787"
                           y3="6.34396"
                           yFract="0.75165403"
                           z3="8.42368"
                           zFract="0.37910351"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20217"
                           xFract="0.49788744"
                           y3="-0.00642"
                           yFract="-0.00076066"
                           z3="6.39686"
                           zFract="0.28788749"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00704"
                           xFract="-0.00083412"
                           y3="2.13321"
                           yFract="0.25275"
                           z3="4.23746"
                           zFract="0.19070477"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.21691"
                           xFract="-0.02570024"
                           y3="2.1600"
                           yFract="0.25592417"
                           z3="8.4519"
                           zFract="0.38037354"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08752"
                           xFract="0.24733649"
                           y3="4.2000"
                           yFract="0.49763033"
                           z3="4.22193"
                           zFract="0.19000585"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33342"
                           xFract="0.75040521"
                           y3="0.0208"
                           yFract="0.00246445"
                           z3="4.23099"
                           zFract="0.19041359"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07662"
                           xFract="0.24604502"
                           y3="4.32541"
                           yFract="0.51248934"
                           z3="8.59504"
                           zFract="0.38681548"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3423"
                           xFract="0.75145735"
                           y3="2.12484"
                           yFract="0.25175829"
                           z3="6.37984"
                           zFract="0.28712151"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.0958"
                           xFract="0.24831754"
                           y3="0.00683"
                           yFract="0.00080924"
                           z3="4.2312"
                           zFract="0.19042304"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25644"
                           xFract="0.50431754"
                           y3="6.30036"
                           yFract="0.74648815"
                           z3="8.49335"
                           zFract="0.38223897"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31391"
                           xFract="0.7480936"
                           y3="6.36181"
                           yFract="0.75376896"
                           z3="6.38716"
                           zFract="0.28745095"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.32935"
                           xFract="0.74992299"
                           y3="4.17536"
                           yFract="0.4947109"
                           z3="4.27491"
                           zFract="0.19239019"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3123"
                           xFract="0.74790284"
                           y3="0.06386"
                           yFract="0.00756635"
                           z3="8.56531"
                           zFract="0.3854775"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.32629"
                           xFract="0.5125936"
                           y3="2.16051"
                           yFract="0.2559846"
                           z3="8.52066"
                           zFract="0.38346805"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06037"
                           xFract="0.00715284"
                           y3="2.12445"
                           yFract="0.25171209"
                           z3="6.31627"
                           zFract="0.28426058"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.9751"
                           xFract="0.23401659"
                           y3="0.01749"
                           yFract="0.00207227"
                           z3="6.4194"
                           zFract="0.28890189"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.08033"
                           xFract="0.00951777"
                           y3="-0.03933"
                           yFract="-0.00465995"
                           z3="4.28976"
                           zFract="0.19305851"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10248"
                           xFract="0.01214218"
                           y3="0.07162"
                           yFract="0.00848578"
                           z3="8.43819"
                           zFract="0.37975653"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19369"
                           xFract="0.25991588"
                           y3="2.16319"
                           yFract="0.25630213"
                           z3="4.24565"
                           zFract="0.19107336"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30321"
                           xFract="0.27289218"
                           y3="1.96263"
                           yFract="0.2325391"
                           z3="8.84418"
                           zFract="0.3980279"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14478"
                           xFract="0.49108768"
                           y3="2.15088"
                           yFract="0.2548436"
                           z3="6.40804"
                           zFract="0.28839064"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48362"
                           xFract="0.76820142"
                           y3="0.06682"
                           yFract="0.00791706"
                           z3="6.43939"
                           zFract="0.28980153"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12294"
                           xFract="0.4885"
                           y3="-0.0110"
                           yFract="-0.00130332"
                           z3="4.29702"
                           zFract="0.19338524"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.11985"
                           xFract="0.48813389"
                           y3="-0.10753"
                           yFract="-0.01274052"
                           z3="8.46885"
                           zFract="0.38113636"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25242"
                           xFract="0.74080806"
                           y3="2.01918"
                           yFract="0.23923934"
                           z3="4.16967"
                           zFract="0.18765392"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20207"
                           xFract="0.73484242"
                           y3="2.07802"
                           yFract="0.2462109"
                           z3="9.05077"
                           zFract="0.40732538"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00192"
                           xFract="0.00022749"
                           y3="6.32618"
                           yFract="0.74954739"
                           z3="6.37276"
                           zFract="0.28680288"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10274"
                           xFract="0.24913981"
                           y3="4.20264"
                           yFract="0.49794313"
                           z3="6.29912"
                           zFract="0.28348875"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14648"
                           xFract="-0.01735545"
                           y3="4.27642"
                           yFract="0.50668483"
                           z3="4.34578"
                           zFract="0.19557966"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03446"
                           xFract="0.00408294"
                           y3="4.21315"
                           yFract="0.49918839"
                           z3="8.50494"
                           zFract="0.38276058"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10444"
                           xFract="0.24934123"
                           y3="6.26079"
                           yFract="0.74179976"
                           z3="4.21097"
                           zFract="0.1895126"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04117"
                           xFract="0.24184479"
                           y3="6.4045"
                           yFract="0.75882701"
                           z3="8.47763"
                           zFract="0.3815315"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2112"
                           xFract="0.49895735"
                           y3="6.27825"
                           yFract="0.74386848"
                           z3="6.32505"
                           zFract="0.28465572"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31489"
                           xFract="0.74820972"
                           y3="4.17835"
                           yFract="0.49506517"
                           z3="6.5413"
                           zFract="0.29438794"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.34067"
                           xFract="0.51429739"
                           y3="4.22365"
                           yFract="0.50043246"
                           z3="4.25179"
                           zFract="0.19134968"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14939"
                           xFract="0.49163389"
                           y3="4.28681"
                           yFract="0.50791588"
                           z3="8.54279"
                           zFract="0.384464"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32233"
                           xFract="0.74909123"
                           y3="6.42373"
                           yFract="0.76110545"
                           z3="4.22391"
                           zFract="0.19009496"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38472"
                           xFract="0.75648341"
                           y3="6.37183"
                           yFract="0.75495616"
                           z3="8.5703"
                           zFract="0.38570207"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.73">
                  <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="H"
                           id="a1"
                           x3="2.0727"
                           xFract="0.24558057"
                           y3="2.0556"
                           yFract="0.2435545"
                           z3="9.78524"
                           zFract="0.44037984"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33906"
                           xFract="0.75107346"
                           y3="4.16613"
                           yFract="0.4936173"
                           z3="8.57008"
                           zFract="0.38569217"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12299"
                           xFract="0.2515391"
                           y3="-0.07767"
                           yFract="-0.00920261"
                           z3="8.52054"
                           zFract="0.38346265"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01577"
                           xFract="0.00186848"
                           y3="0.02751"
                           yFract="0.00325948"
                           z3="6.40309"
                           zFract="0.28816787"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10309"
                           xFract="0.24918128"
                           y3="6.31139"
                           yFract="0.74779502"
                           z3="6.36559"
                           zFract="0.2864802"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09298"
                           xFract="0.24798341"
                           y3="2.11963"
                           yFract="0.251141"
                           z3="6.29783"
                           zFract="0.28343069"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21236"
                           xFract="0.49909479"
                           y3="6.32347"
                           yFract="0.7492263"
                           z3="4.26776"
                           zFract="0.19206841"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23041"
                           xFract="0.50123341"
                           y3="2.10729"
                           yFract="0.24967891"
                           z3="4.23714"
                           zFract="0.19069037"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18966"
                           xFract="0.49640521"
                           y3="4.22188"
                           yFract="0.50022275"
                           z3="6.41287"
                           zFract="0.28860801"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00838"
                           xFract="0.00099289"
                           y3="4.20216"
                           yFract="0.49788626"
                           z3="6.39765"
                           zFract="0.28792304"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00616"
                           xFract="-0.00072986"
                           y3="6.3304"
                           yFract="0.75004739"
                           z3="4.28061"
                           zFract="0.19264671"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.0144"
                           xFract="-0.00170616"
                           y3="6.3440"
                           yFract="0.75165877"
                           z3="8.4238"
                           zFract="0.37910891"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20233"
                           xFract="0.4979064"
                           y3="-0.00644"
                           yFract="-0.00076303"
                           z3="6.39665"
                           zFract="0.28787804"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00705"
                           xFract="-0.00083531"
                           y3="2.13335"
                           yFract="0.25276659"
                           z3="4.23782"
                           zFract="0.19072097"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.21768"
                           xFract="-0.02579147"
                           y3="2.16005"
                           yFract="0.25593009"
                           z3="8.45134"
                           zFract="0.38034833"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08749"
                           xFract="0.24733294"
                           y3="4.19998"
                           yFract="0.49762796"
                           z3="4.22222"
                           zFract="0.1900189"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33345"
                           xFract="0.75040877"
                           y3="0.02069"
                           yFract="0.00245142"
                           z3="4.23126"
                           zFract="0.19042574"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07642"
                           xFract="0.24602133"
                           y3="4.32548"
                           yFract="0.51249763"
                           z3="8.59488"
                           zFract="0.38680828"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.34202"
                           xFract="0.75142417"
                           y3="2.12476"
                           yFract="0.25174882"
                           z3="6.38023"
                           zFract="0.28713906"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09569"
                           xFract="0.2483045"
                           y3="0.00683"
                           yFract="0.00080924"
                           z3="4.23119"
                           zFract="0.19042259"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25656"
                           xFract="0.50433175"
                           y3="6.30041"
                           yFract="0.74649408"
                           z3="8.49337"
                           zFract="0.38223987"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31412"
                           xFract="0.74811848"
                           y3="6.36186"
                           yFract="0.75377488"
                           z3="6.38734"
                           zFract="0.28745905"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.32948"
                           xFract="0.74993839"
                           y3="4.17567"
                           yFract="0.49474763"
                           z3="4.27496"
                           zFract="0.19239244"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31243"
                           xFract="0.74791825"
                           y3="0.0641"
                           yFract="0.00759479"
                           z3="8.56586"
                           zFract="0.38550225"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.3270"
                           xFract="0.51267773"
                           y3="2.16051"
                           yFract="0.2559846"
                           z3="8.52124"
                           zFract="0.38349415"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06053"
                           xFract="0.0071718"
                           y3="2.12475"
                           yFract="0.25174763"
                           z3="6.31696"
                           zFract="0.28429163"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97517"
                           xFract="0.23402488"
                           y3="0.01728"
                           yFract="0.00204739"
                           z3="6.41952"
                           zFract="0.28890729"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.07994"
                           xFract="0.00947156"
                           y3="-0.03939"
                           yFract="-0.00466706"
                           z3="4.29006"
                           zFract="0.19307201"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10233"
                           xFract="0.01212441"
                           y3="0.07175"
                           yFract="0.00850118"
                           z3="8.43838"
                           zFract="0.37976508"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19372"
                           xFract="0.25991943"
                           y3="2.16287"
                           yFract="0.25626422"
                           z3="4.2461"
                           zFract="0.19109361"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30384"
                           xFract="0.27296682"
                           y3="1.96235"
                           yFract="0.23250592"
                           z3="8.84316"
                           zFract="0.397982"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14465"
                           xFract="0.49107227"
                           y3="2.15075"
                           yFract="0.2548282"
                           z3="6.40856"
                           zFract="0.28841404"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48367"
                           xFract="0.76820735"
                           y3="0.06699"
                           yFract="0.0079372"
                           z3="6.44003"
                           zFract="0.28983033"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12323"
                           xFract="0.48853436"
                           y3="-0.0110"
                           yFract="-0.00130332"
                           z3="4.29684"
                           zFract="0.19337714"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.11994"
                           xFract="0.48814455"
                           y3="-0.10759"
                           yFract="-0.01274763"
                           z3="8.46846"
                           zFract="0.38111881"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25268"
                           xFract="0.74083886"
                           y3="2.01949"
                           yFract="0.23927607"
                           z3="4.16972"
                           zFract="0.18765617"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.2018"
                           xFract="0.73481043"
                           y3="2.07817"
                           yFract="0.24622867"
                           z3="9.05208"
                           zFract="0.40738434"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00179"
                           xFract="0.00021209"
                           y3="6.32594"
                           yFract="0.74951896"
                           z3="6.37301"
                           zFract="0.28681413"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10288"
                           xFract="0.2491564"
                           y3="4.2027"
                           yFract="0.49795024"
                           z3="6.29925"
                           zFract="0.2834946"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.1463"
                           xFract="-0.01733412"
                           y3="4.27657"
                           yFract="0.50670261"
                           z3="4.34593"
                           zFract="0.19558641"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03437"
                           xFract="0.00407227"
                           y3="4.21291"
                           yFract="0.49915995"
                           z3="8.50516"
                           zFract="0.38277048"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10451"
                           xFract="0.24934953"
                           y3="6.2612"
                           yFract="0.74184834"
                           z3="4.21101"
                           zFract="0.1895144"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04093"
                           xFract="0.24181635"
                           y3="6.40493"
                           yFract="0.75887796"
                           z3="8.47791"
                           zFract="0.3815441"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21142"
                           xFract="0.49898341"
                           y3="6.27823"
                           yFract="0.74386611"
                           z3="6.3249"
                           zFract="0.28464896"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31471"
                           xFract="0.74818839"
                           y3="4.17811"
                           yFract="0.49503673"
                           z3="6.54165"
                           zFract="0.29440369"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.34055"
                           xFract="0.51428318"
                           y3="4.22342"
                           yFract="0.50040521"
                           z3="4.25172"
                           zFract="0.19134653"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14918"
                           xFract="0.491609"
                           y3="4.28684"
                           yFract="0.50791943"
                           z3="8.54302"
                           zFract="0.38447435"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3223"
                           xFract="0.74908768"
                           y3="6.42336"
                           yFract="0.76106161"
                           z3="4.2240"
                           zFract="0.19009901"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38467"
                           xFract="0.75647749"
                           y3="6.37185"
                           yFract="0.75495853"
                           z3="8.57065"
                           zFract="0.38571782"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.74">
                  <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="H"
                           id="a1"
                           x3="2.07122"
                           xFract="0.24540521"
                           y3="2.05679"
                           yFract="0.2436955"
                           z3="9.78676"
                           zFract="0.44044824"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33873"
                           xFract="0.75103436"
                           y3="4.16599"
                           yFract="0.49360071"
                           z3="8.57095"
                           zFract="0.38573132"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12324"
                           xFract="0.25156872"
                           y3="-0.07854"
                           yFract="-0.00930569"
                           z3="8.52016"
                           zFract="0.38344554"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0149"
                           xFract="0.0017654"
                           y3="0.0276"
                           yFract="0.00327014"
                           z3="6.40356"
                           zFract="0.28818902"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10328"
                           xFract="0.24920379"
                           y3="6.31148"
                           yFract="0.74780569"
                           z3="6.36612"
                           zFract="0.28650405"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09291"
                           xFract="0.24797512"
                           y3="2.11953"
                           yFract="0.25112915"
                           z3="6.29882"
                           zFract="0.28347525"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21279"
                           xFract="0.49914573"
                           y3="6.32317"
                           yFract="0.74919076"
                           z3="4.26776"
                           zFract="0.19206841"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23062"
                           xFract="0.50125829"
                           y3="2.10728"
                           yFract="0.24967773"
                           z3="4.23728"
                           zFract="0.19069667"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18969"
                           xFract="0.49640877"
                           y3="4.22185"
                           yFract="0.50021919"
                           z3="6.4132"
                           zFract="0.28862286"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00835"
                           xFract="0.00098934"
                           y3="4.20242"
                           yFract="0.49791706"
                           z3="6.39795"
                           zFract="0.28793654"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00639"
                           xFract="-0.00075711"
                           y3="6.33047"
                           yFract="0.75005569"
                           z3="4.28077"
                           zFract="0.19265392"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01459"
                           xFract="-0.00172867"
                           y3="6.34409"
                           yFract="0.75166943"
                           z3="8.42409"
                           zFract="0.37912196"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2027"
                           xFract="0.49795024"
                           y3="-0.00649"
                           yFract="-0.00076896"
                           z3="6.39615"
                           zFract="0.28785554"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00706"
                           xFract="-0.00083649"
                           y3="2.13369"
                           yFract="0.25280687"
                           z3="4.23868"
                           zFract="0.19075968"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.21955"
                           xFract="-0.02601303"
                           y3="2.16019"
                           yFract="0.25594668"
                           z3="8.45002"
                           zFract="0.38028893"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08741"
                           xFract="0.24732346"
                           y3="4.19991"
                           yFract="0.49761967"
                           z3="4.22293"
                           zFract="0.19005086"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33351"
                           xFract="0.75041588"
                           y3="0.02045"
                           yFract="0.00242299"
                           z3="4.23191"
                           zFract="0.190455"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07595"
                           xFract="0.24596564"
                           y3="4.32563"
                           yFract="0.5125154"
                           z3="8.59448"
                           zFract="0.38679028"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.34137"
                           xFract="0.75134716"
                           y3="2.12458"
                           yFract="0.25172749"
                           z3="6.38117"
                           zFract="0.28718137"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09542"
                           xFract="0.24827251"
                           y3="0.00682"
                           yFract="0.00080806"
                           z3="4.23118"
                           zFract="0.19042214"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25685"
                           xFract="0.50436611"
                           y3="6.30051"
                           yFract="0.74650592"
                           z3="8.49342"
                           zFract="0.38224212"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.3146"
                           xFract="0.74817536"
                           y3="6.36197"
                           yFract="0.75378791"
                           z3="6.38776"
                           zFract="0.28747795"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.32979"
                           xFract="0.74997512"
                           y3="4.17642"
                           yFract="0.49483649"
                           z3="4.27508"
                           zFract="0.19239784"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31272"
                           xFract="0.74795261"
                           y3="0.06468"
                           yFract="0.00766351"
                           z3="8.56718"
                           zFract="0.38556166"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.32871"
                           xFract="0.51288033"
                           y3="2.16049"
                           yFract="0.25598223"
                           z3="8.52262"
                           zFract="0.38355626"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0609"
                           xFract="0.00721564"
                           y3="2.12546"
                           yFract="0.25183175"
                           z3="6.31861"
                           zFract="0.28436589"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97533"
                           xFract="0.23404384"
                           y3="0.01676"
                           yFract="0.00198578"
                           z3="6.4198"
                           zFract="0.28891989"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0790"
                           xFract="0.00936019"
                           y3="-0.03953"
                           yFract="-0.00468365"
                           z3="4.29078"
                           zFract="0.19310441"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10198"
                           xFract="0.01208294"
                           y3="0.07206"
                           yFract="0.00853791"
                           z3="8.43881"
                           zFract="0.37978443"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1938"
                           xFract="0.25992891"
                           y3="2.16211"
                           yFract="0.25617417"
                           z3="4.2472"
                           zFract="0.19114311"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30536"
                           xFract="0.27314692"
                           y3="1.96169"
                           yFract="0.23242773"
                           z3="8.84071"
                           zFract="0.39787174"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14433"
                           xFract="0.49103436"
                           y3="2.15043"
                           yFract="0.25479028"
                           z3="6.40982"
                           zFract="0.28847075"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48379"
                           xFract="0.76822156"
                           y3="0.06741"
                           yFract="0.00798697"
                           z3="6.44158"
                           zFract="0.28990009"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12394"
                           xFract="0.48861848"
                           y3="-0.01101"
                           yFract="-0.0013045"
                           z3="4.2964"
                           zFract="0.19335734"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12015"
                           xFract="0.48816943"
                           y3="-0.10772"
                           yFract="-0.01276303"
                           z3="8.46753"
                           zFract="0.38107696"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25329"
                           xFract="0.74091114"
                           y3="2.02023"
                           yFract="0.23936374"
                           z3="4.16982"
                           zFract="0.18766067"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20117"
                           xFract="0.73473578"
                           y3="2.07854"
                           yFract="0.24627251"
                           z3="9.05522"
                           zFract="0.40752565"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00147"
                           xFract="0.00017417"
                           y3="6.32536"
                           yFract="0.74945024"
                           z3="6.37363"
                           zFract="0.28684203"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.1032"
                           xFract="0.24919431"
                           y3="4.20285"
                           yFract="0.49796801"
                           z3="6.29956"
                           zFract="0.28350855"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14586"
                           xFract="-0.01728199"
                           y3="4.27692"
                           yFract="0.50674408"
                           z3="4.34631"
                           zFract="0.19560351"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03418"
                           xFract="0.00404976"
                           y3="4.21234"
                           yFract="0.49909242"
                           z3="8.50568"
                           zFract="0.38279388"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10468"
                           xFract="0.24936967"
                           y3="6.26218"
                           yFract="0.74196445"
                           z3="4.21111"
                           zFract="0.1895189"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04036"
                           xFract="0.24174882"
                           y3="6.40596"
                           yFract="0.7590"
                           z3="8.47856"
                           zFract="0.38157336"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21196"
                           xFract="0.49904739"
                           y3="6.27818"
                           yFract="0.74386019"
                           z3="6.32453"
                           zFract="0.28463231"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3143"
                           xFract="0.74813981"
                           y3="4.17753"
                           yFract="0.49496801"
                           z3="6.54248"
                           zFract="0.29444104"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.34025"
                           xFract="0.51424763"
                           y3="4.22288"
                           yFract="0.50034123"
                           z3="4.25156"
                           zFract="0.19133933"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14865"
                           xFract="0.49154621"
                           y3="4.28691"
                           yFract="0.50792773"
                           z3="8.54359"
                           zFract="0.3845"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32224"
                           xFract="0.74908057"
                           y3="6.42246"
                           yFract="0.76095498"
                           z3="4.2242"
                           zFract="0.19010801"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38455"
                           xFract="0.75646327"
                           y3="6.37191"
                           yFract="0.75496564"
                           z3="8.57147"
                           zFract="0.38575473"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.75">
                  <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="H"
                           id="a1"
                           x3="2.07063"
                           xFract="0.24533531"
                           y3="2.05731"
                           yFract="0.24375711"
                           z3="9.7863"
                           zFract="0.44042754"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33852"
                           xFract="0.75100948"
                           y3="4.16604"
                           yFract="0.49360664"
                           z3="8.57144"
                           zFract="0.38575338"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12328"
                           xFract="0.25157346"
                           y3="-0.07858"
                           yFract="-0.00931043"
                           z3="8.52017"
                           zFract="0.38344599"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01501"
                           xFract="0.00177844"
                           y3="0.02762"
                           yFract="0.00327251"
                           z3="6.40371"
                           zFract="0.28819577"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.1033"
                           xFract="0.24920616"
                           y3="6.3115"
                           yFract="0.74780806"
                           z3="6.36631"
                           zFract="0.2865126"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09289"
                           xFract="0.24797275"
                           y3="2.1194"
                           yFract="0.25111374"
                           z3="6.29945"
                           zFract="0.2835036"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2129"
                           xFract="0.49915877"
                           y3="6.32303"
                           yFract="0.74917417"
                           z3="4.26772"
                           zFract="0.19206661"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23081"
                           xFract="0.50128081"
                           y3="2.10728"
                           yFract="0.24967773"
                           z3="4.23743"
                           zFract="0.19070342"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18974"
                           xFract="0.49641469"
                           y3="4.22171"
                           yFract="0.50020261"
                           z3="6.41342"
                           zFract="0.28863276"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00829"
                           xFract="0.00098223"
                           y3="4.20258"
                           yFract="0.49793602"
                           z3="6.39823"
                           zFract="0.28794914"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.0064"
                           xFract="-0.00075829"
                           y3="6.33055"
                           yFract="0.75006517"
                           z3="4.28085"
                           zFract="0.19265752"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01473"
                           xFract="-0.00174526"
                           y3="6.34409"
                           yFract="0.75166943"
                           z3="8.42429"
                           zFract="0.37913096"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20287"
                           xFract="0.49797038"
                           y3="-0.00653"
                           yFract="-0.0007737"
                           z3="6.39595"
                           zFract="0.28784653"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00702"
                           xFract="-0.00083175"
                           y3="2.13384"
                           yFract="0.25282464"
                           z3="4.23914"
                           zFract="0.19078038"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.22044"
                           xFract="-0.02611848"
                           y3="2.1602"
                           yFract="0.25594787"
                           z3="8.44936"
                           zFract="0.38025923"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.0874"
                           xFract="0.24732227"
                           y3="4.19991"
                           yFract="0.49761967"
                           z3="4.22322"
                           zFract="0.19006391"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33354"
                           xFract="0.75041943"
                           y3="0.02043"
                           yFract="0.00242062"
                           z3="4.23224"
                           zFract="0.19046985"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07584"
                           xFract="0.24595261"
                           y3="4.3257"
                           yFract="0.5125237"
                           z3="8.5943"
                           zFract="0.38678218"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3410"
                           xFract="0.75130332"
                           y3="2.1245"
                           yFract="0.25171801"
                           z3="6.3816"
                           zFract="0.28720072"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09526"
                           xFract="0.24825355"
                           y3="0.00678"
                           yFract="0.00080332"
                           z3="4.23126"
                           zFract="0.19042574"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25693"
                           xFract="0.50437559"
                           y3="6.30049"
                           yFract="0.74650355"
                           z3="8.49347"
                           zFract="0.38224437"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31468"
                           xFract="0.74818483"
                           y3="6.36198"
                           yFract="0.7537891"
                           z3="6.38798"
                           zFract="0.28748785"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.32982"
                           xFract="0.74997867"
                           y3="4.17671"
                           yFract="0.49487085"
                           z3="4.27515"
                           zFract="0.19240099"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3128"
                           xFract="0.74796209"
                           y3="0.06488"
                           yFract="0.0076872"
                           z3="8.56793"
                           zFract="0.38559541"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.32897"
                           xFract="0.51291114"
                           y3="2.16053"
                           yFract="0.25598697"
                           z3="8.52322"
                           zFract="0.38358326"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06108"
                           xFract="0.00723697"
                           y3="2.12564"
                           yFract="0.25185308"
                           z3="6.31943"
                           zFract="0.28440279"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97516"
                           xFract="0.2340237"
                           y3="0.01647"
                           yFract="0.00195142"
                           z3="6.41991"
                           zFract="0.28892484"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.07841"
                           xFract="0.00929028"
                           y3="-0.03958"
                           yFract="-0.00468957"
                           z3="4.29117"
                           zFract="0.19312196"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10191"
                           xFract="0.01207464"
                           y3="0.07219"
                           yFract="0.00855332"
                           z3="8.43899"
                           zFract="0.37979253"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19369"
                           xFract="0.25991588"
                           y3="2.16175"
                           yFract="0.25613152"
                           z3="4.24773"
                           zFract="0.19116697"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30597"
                           xFract="0.27321919"
                           y3="1.9614"
                           yFract="0.23239336"
                           z3="8.84042"
                           zFract="0.39785869"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14427"
                           xFract="0.49102725"
                           y3="2.15031"
                           yFract="0.25477607"
                           z3="6.41032"
                           zFract="0.28849325"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48376"
                           xFract="0.76821801"
                           y3="0.06758"
                           yFract="0.00800711"
                           z3="6.44239"
                           zFract="0.28993654"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12445"
                           xFract="0.48867891"
                           y3="-0.01098"
                           yFract="-0.00130095"
                           z3="4.29633"
                           zFract="0.19335419"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12031"
                           xFract="0.48818839"
                           y3="-0.10787"
                           yFract="-0.01278081"
                           z3="8.46707"
                           zFract="0.38105626"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25364"
                           xFract="0.74095261"
                           y3="2.02052"
                           yFract="0.2393981"
                           z3="4.16986"
                           zFract="0.18766247"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20124"
                           xFract="0.73474408"
                           y3="2.07867"
                           yFract="0.24628791"
                           z3="9.05681"
                           zFract="0.40759721"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00132"
                           xFract="0.0001564"
                           y3="6.3251"
                           yFract="0.74941943"
                           z3="6.37398"
                           zFract="0.28685779"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10329"
                           xFract="0.24920498"
                           y3="4.20304"
                           yFract="0.49799052"
                           z3="6.29975"
                           zFract="0.2835171"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14552"
                           xFract="-0.01724171"
                           y3="4.27705"
                           yFract="0.50675948"
                           z3="4.34646"
                           zFract="0.19561026"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03416"
                           xFract="0.00404739"
                           y3="4.21223"
                           yFract="0.49907938"
                           z3="8.50592"
                           zFract="0.38280468"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10477"
                           xFract="0.24938033"
                           y3="6.26265"
                           yFract="0.74202014"
                           z3="4.21122"
                           zFract="0.18952385"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04014"
                           xFract="0.24172275"
                           y3="6.40634"
                           yFract="0.75904502"
                           z3="8.47878"
                           zFract="0.38158326"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21224"
                           xFract="0.49908057"
                           y3="6.27823"
                           yFract="0.74386611"
                           z3="6.32443"
                           zFract="0.28462781"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31407"
                           xFract="0.74811256"
                           y3="4.17727"
                           yFract="0.4949372"
                           z3="6.54284"
                           zFract="0.29445725"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.34008"
                           xFract="0.51422749"
                           y3="4.2226"
                           yFract="0.50030806"
                           z3="4.25148"
                           zFract="0.19133573"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1483"
                           xFract="0.49150474"
                           y3="4.28707"
                           yFract="0.50794668"
                           z3="8.54387"
                           zFract="0.3845126"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32221"
                           xFract="0.74907701"
                           y3="6.4221"
                           yFract="0.76091232"
                           z3="4.2242"
                           zFract="0.19010801"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38465"
                           xFract="0.75647512"
                           y3="6.37193"
                           yFract="0.75496801"
                           z3="8.57194"
                           zFract="0.38577588"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.76">
                  <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="H"
                           id="a1"
                           x3="2.06883"
                           xFract="0.24512204"
                           y3="2.05887"
                           yFract="0.24394194"
                           z3="9.78491"
                           zFract="0.44036499"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33788"
                           xFract="0.75093365"
                           y3="4.16618"
                           yFract="0.49362322"
                           z3="8.57288"
                           zFract="0.38581818"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12339"
                           xFract="0.25158649"
                           y3="-0.07872"
                           yFract="-0.00932701"
                           z3="8.52022"
                           zFract="0.38344824"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01534"
                           xFract="0.00181754"
                           y3="0.02767"
                           yFract="0.00327844"
                           z3="6.40415"
                           zFract="0.28821557"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10335"
                           xFract="0.24921209"
                           y3="6.31155"
                           yFract="0.74781398"
                           z3="6.36686"
                           zFract="0.28653735"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09282"
                           xFract="0.24796445"
                           y3="2.1190"
                           yFract="0.25106635"
                           z3="6.30134"
                           zFract="0.28358866"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21321"
                           xFract="0.4991955"
                           y3="6.32261"
                           yFract="0.74912441"
                           z3="4.26761"
                           zFract="0.19206166"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23139"
                           xFract="0.50134953"
                           y3="2.10728"
                           yFract="0.24967773"
                           z3="4.23788"
                           zFract="0.19072367"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.18986"
                           xFract="0.49642891"
                           y3="4.2213"
                           yFract="0.50015403"
                           z3="6.41409"
                           zFract="0.28866292"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00811"
                           xFract="0.0009609"
                           y3="4.20307"
                           yFract="0.49799408"
                           z3="6.39909"
                           zFract="0.28798785"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00644"
                           xFract="-0.00076303"
                           y3="6.33082"
                           yFract="0.75009716"
                           z3="4.28109"
                           zFract="0.19266832"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01515"
                           xFract="-0.00179502"
                           y3="6.3441"
                           yFract="0.75167062"
                           z3="8.4249"
                           zFract="0.37915842"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2034"
                           xFract="0.49803318"
                           y3="-0.00665"
                           yFract="-0.00078791"
                           z3="6.39535"
                           zFract="0.28781953"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00693"
                           xFract="-0.00082109"
                           y3="2.13426"
                           yFract="0.25287441"
                           z3="4.2405"
                           zFract="0.19084158"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.22313"
                           xFract="-0.0264372"
                           y3="2.16021"
                           yFract="0.25594905"
                           z3="8.44741"
                           zFract="0.38017147"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08737"
                           xFract="0.24731872"
                           y3="4.19989"
                           yFract="0.4976173"
                           z3="4.2241"
                           zFract="0.19010351"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33363"
                           xFract="0.75043009"
                           y3="0.0204"
                           yFract="0.00241706"
                           z3="4.23322"
                           zFract="0.19051395"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07553"
                           xFract="0.24591588"
                           y3="4.32592"
                           yFract="0.51254976"
                           z3="8.59378"
                           zFract="0.38675878"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33991"
                           xFract="0.75117417"
                           y3="2.12424"
                           yFract="0.2516872"
                           z3="6.3829"
                           zFract="0.28725923"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.0948"
                           xFract="0.24819905"
                           y3="0.00667"
                           yFract="0.00079028"
                           z3="4.23149"
                           zFract="0.19043609"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25719"
                           xFract="0.5044064"
                           y3="6.30042"
                           yFract="0.74649526"
                           z3="8.49362"
                           zFract="0.38225113"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31494"
                           xFract="0.74821564"
                           y3="6.36201"
                           yFract="0.75379265"
                           z3="6.38865"
                           zFract="0.287518"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.32992"
                           xFract="0.74999052"
                           y3="4.1776"
                           yFract="0.4949763"
                           z3="4.27537"
                           zFract="0.19241089"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31305"
                           xFract="0.74799171"
                           y3="0.06548"
                           yFract="0.00775829"
                           z3="8.5702"
                           zFract="0.38569757"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.32975"
                           xFract="0.51300355"
                           y3="2.16067"
                           yFract="0.25600355"
                           z3="8.5250"
                           zFract="0.38366337"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06162"
                           xFract="0.00730095"
                           y3="2.12618"
                           yFract="0.25191706"
                           z3="6.32191"
                           zFract="0.2845144"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97465"
                           xFract="0.23396327"
                           y3="0.01558"
                           yFract="0.00184597"
                           z3="6.42025"
                           zFract="0.28894014"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.07663"
                           xFract="0.00907938"
                           y3="-0.03971"
                           yFract="-0.00470498"
                           z3="4.29233"
                           zFract="0.19317417"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10171"
                           xFract="0.01205095"
                           y3="0.07258"
                           yFract="0.00859953"
                           z3="8.43953"
                           zFract="0.37981683"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19338"
                           xFract="0.25987915"
                           y3="2.16065"
                           yFract="0.25600118"
                           z3="4.24932"
                           zFract="0.19123852"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30779"
                           xFract="0.27343483"
                           y3="1.96052"
                           yFract="0.2322891"
                           z3="8.83954"
                           zFract="0.39781908"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.1441"
                           xFract="0.49100711"
                           y3="2.14997"
                           yFract="0.25473578"
                           z3="6.41182"
                           zFract="0.28856076"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48366"
                           xFract="0.76820616"
                           y3="0.06807"
                           yFract="0.00806517"
                           z3="6.44482"
                           zFract="0.2900459"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.1260"
                           xFract="0.48886256"
                           y3="-0.01087"
                           yFract="-0.00128791"
                           z3="4.29613"
                           zFract="0.19334518"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12078"
                           xFract="0.48824408"
                           y3="-0.10834"
                           yFract="-0.01283649"
                           z3="8.46568"
                           zFract="0.3809937"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25469"
                           xFract="0.74107701"
                           y3="2.02139"
                           yFract="0.23950118"
                           z3="4.16999"
                           zFract="0.18766832"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20143"
                           xFract="0.73476659"
                           y3="2.07907"
                           yFract="0.24633531"
                           z3="9.0616"
                           zFract="0.40781278"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.00086"
                           xFract="0.0001019"
                           y3="6.3243"
                           yFract="0.74932464"
                           z3="6.37504"
                           zFract="0.28690549"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10355"
                           xFract="0.24923578"
                           y3="4.20362"
                           yFract="0.49805924"
                           z3="6.30034"
                           zFract="0.28354365"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14449"
                           xFract="-0.01711967"
                           y3="4.27742"
                           yFract="0.50680332"
                           z3="4.34691"
                           zFract="0.19563051"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03412"
                           xFract="0.00404265"
                           y3="4.21191"
                           yFract="0.49904147"
                           z3="8.50664"
                           zFract="0.38283708"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10506"
                           xFract="0.24941469"
                           y3="6.26405"
                           yFract="0.74218602"
                           z3="4.21157"
                           zFract="0.1895396"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03947"
                           xFract="0.24164336"
                           y3="6.40749"
                           yFract="0.75918128"
                           z3="8.47945"
                           zFract="0.38161341"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21308"
                           xFract="0.49918009"
                           y3="6.27837"
                           yFract="0.7438827"
                           z3="6.32411"
                           zFract="0.28461341"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31337"
                           xFract="0.74802962"
                           y3="4.1765"
                           yFract="0.49484597"
                           z3="6.54392"
                           zFract="0.29450585"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33957"
                           xFract="0.51416706"
                           y3="4.22175"
                           yFract="0.50020735"
                           z3="4.25125"
                           zFract="0.19132538"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14725"
                           xFract="0.49138033"
                           y3="4.28756"
                           yFract="0.50800474"
                           z3="8.54471"
                           zFract="0.38455041"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32212"
                           xFract="0.74906635"
                           y3="6.42101"
                           yFract="0.76078318"
                           z3="4.22421"
                           zFract="0.19010846"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38492"
                           xFract="0.75650711"
                           y3="6.3720"
                           yFract="0.7549763"
                           z3="8.57336"
                           zFract="0.38583978"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.77">
                  <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="H"
                           id="a1"
                           x3="2.06525"
                           xFract="0.24469787"
                           y3="2.06197"
                           yFract="0.24430924"
                           z3="9.78215"
                           zFract="0.44024077"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3366"
                           xFract="0.75078199"
                           y3="4.16646"
                           yFract="0.4936564"
                           z3="8.57578"
                           zFract="0.38594869"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1236"
                           xFract="0.25161137"
                           y3="-0.07901"
                           yFract="-0.00936137"
                           z3="8.52031"
                           zFract="0.3834523"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01601"
                           xFract="0.00189692"
                           y3="0.02777"
                           yFract="0.00329028"
                           z3="6.40504"
                           zFract="0.28825563"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10346"
                           xFract="0.24922512"
                           y3="6.31166"
                           yFract="0.74782701"
                           z3="6.36798"
                           zFract="0.28658776"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09268"
                           xFract="0.24794787"
                           y3="2.11821"
                           yFract="0.25097275"
                           z3="6.30512"
                           zFract="0.28375878"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21384"
                           xFract="0.49927014"
                           y3="6.32177"
                           yFract="0.74902488"
                           z3="4.26738"
                           zFract="0.19205131"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23255"
                           xFract="0.50148697"
                           y3="2.10729"
                           yFract="0.24967891"
                           z3="4.23877"
                           zFract="0.19076373"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.1901"
                           xFract="0.49645735"
                           y3="4.22049"
                           yFract="0.50005806"
                           z3="6.41543"
                           zFract="0.28872322"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00775"
                           xFract="0.00091825"
                           y3="4.20404"
                           yFract="0.498109"
                           z3="6.40081"
                           zFract="0.28806526"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.0065"
                           xFract="-0.00077014"
                           y3="6.33135"
                           yFract="0.75015995"
                           z3="4.28157"
                           zFract="0.19268992"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01598"
                           xFract="-0.00189336"
                           y3="6.3441"
                           yFract="0.75167062"
                           z3="8.42613"
                           zFract="0.37921377"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20445"
                           xFract="0.49815758"
                           y3="-0.00688"
                           yFract="-0.00081517"
                           z3="6.39416"
                           zFract="0.28776598"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00673"
                           xFract="-0.00079739"
                           y3="2.13511"
                           yFract="0.25297512"
                           z3="4.24322"
                           zFract="0.190964"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.22851"
                           xFract="-0.02707464"
                           y3="2.16022"
                           yFract="0.25595024"
                           z3="8.4435"
                           zFract="0.3799955"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.0873"
                           xFract="0.24731043"
                           y3="4.19987"
                           yFract="0.49761493"
                           z3="4.22586"
                           zFract="0.19018272"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3338"
                           xFract="0.75045024"
                           y3="0.02034"
                           yFract="0.00240995"
                           z3="4.23519"
                           zFract="0.19060261"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07491"
                           xFract="0.24584242"
                           y3="4.32635"
                           yFract="0.51260071"
                           z3="8.59273"
                           zFract="0.38671152"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33771"
                           xFract="0.75091351"
                           y3="2.12372"
                           yFract="0.25162559"
                           z3="6.38551"
                           zFract="0.28737669"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09387"
                           xFract="0.24808886"
                           y3="0.00645"
                           yFract="0.00076422"
                           z3="4.23196"
                           zFract="0.19045725"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25769"
                           xFract="0.50446564"
                           y3="6.30029"
                           yFract="0.74647986"
                           z3="8.49392"
                           zFract="0.38226463"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31546"
                           xFract="0.74827725"
                           y3="6.36207"
                           yFract="0.75379976"
                           z3="6.3900"
                           zFract="0.28757876"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33011"
                           xFract="0.75001303"
                           y3="4.17937"
                           yFract="0.49518602"
                           z3="4.27582"
                           zFract="0.19243114"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31356"
                           xFract="0.74805213"
                           y3="0.06669"
                           yFract="0.00790166"
                           z3="8.57473"
                           zFract="0.38590144"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.3313"
                           xFract="0.5131872"
                           y3="2.16093"
                           yFract="0.25603436"
                           z3="8.52856"
                           zFract="0.38382358"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06269"
                           xFract="0.00742773"
                           y3="2.12726"
                           yFract="0.25204502"
                           z3="6.32687"
                           zFract="0.28473762"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97363"
                           xFract="0.23384242"
                           y3="0.0138"
                           yFract="0.00163507"
                           z3="6.42092"
                           zFract="0.2889703"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.07307"
                           xFract="0.00865758"
                           y3="-0.03998"
                           yFract="-0.00473697"
                           z3="4.29467"
                           zFract="0.19327948"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10132"
                           xFract="0.01200474"
                           y3="0.07335"
                           yFract="0.00869076"
                           z3="8.44059"
                           zFract="0.37986454"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19276"
                           xFract="0.25980569"
                           y3="2.15846"
                           yFract="0.25574171"
                           z3="4.25249"
                           zFract="0.19138119"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31143"
                           xFract="0.27386611"
                           y3="1.95876"
                           yFract="0.23208057"
                           z3="8.83777"
                           zFract="0.39773942"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14375"
                           xFract="0.49096564"
                           y3="2.14928"
                           yFract="0.25465403"
                           z3="6.41484"
                           zFract="0.28869667"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48348"
                           xFract="0.76818483"
                           y3="0.06905"
                           yFract="0.00818128"
                           z3="6.4497"
                           zFract="0.29026553"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.12908"
                           xFract="0.48922749"
                           y3="-0.01064"
                           yFract="-0.00126066"
                           z3="4.29571"
                           zFract="0.19332628"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12173"
                           xFract="0.48835664"
                           y3="-0.10928"
                           yFract="-0.01294787"
                           z3="8.46292"
                           zFract="0.38086949"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25679"
                           xFract="0.74132583"
                           y3="2.02314"
                           yFract="0.23970853"
                           z3="4.17026"
                           zFract="0.18768047"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20183"
                           xFract="0.73481398"
                           y3="2.07986"
                           yFract="0.24642891"
                           z3="9.07117"
                           zFract="0.40824347"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00006"
                           xFract="-0.00000711"
                           y3="6.32272"
                           yFract="0.74913744"
                           z3="6.37716"
                           zFract="0.2870009"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10408"
                           xFract="0.24929858"
                           y3="4.20478"
                           yFract="0.49819668"
                           z3="6.30152"
                           zFract="0.28359676"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14243"
                           xFract="-0.01687559"
                           y3="4.27816"
                           yFract="0.506891"
                           z3="4.34783"
                           zFract="0.19567192"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03404"
                           xFract="0.00403318"
                           y3="4.21127"
                           yFract="0.49896564"
                           z3="8.5081"
                           zFract="0.38290279"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10564"
                           xFract="0.24948341"
                           y3="6.26686"
                           yFract="0.74251896"
                           z3="4.21226"
                           zFract="0.18957066"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03812"
                           xFract="0.24148341"
                           y3="6.40978"
                           yFract="0.75945261"
                           z3="8.48078"
                           zFract="0.38167327"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21476"
                           xFract="0.49937915"
                           y3="6.27867"
                           yFract="0.74391825"
                           z3="6.32347"
                           zFract="0.28458461"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31199"
                           xFract="0.74786611"
                           y3="4.17495"
                           yFract="0.49466232"
                           z3="6.54608"
                           zFract="0.29460306"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33854"
                           xFract="0.51404502"
                           y3="4.22007"
                           yFract="0.50000829"
                           z3="4.25077"
                           zFract="0.19130378"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14514"
                           xFract="0.49113033"
                           y3="4.28852"
                           yFract="0.50811848"
                           z3="8.5464"
                           zFract="0.38462646"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32196"
                           xFract="0.74904739"
                           y3="6.41884"
                           yFract="0.76052607"
                           z3="4.22421"
                           zFract="0.19010846"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38547"
                           xFract="0.75657227"
                           y3="6.37214"
                           yFract="0.75499289"
                           z3="8.57619"
                           zFract="0.38596715"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.78">
                  <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="H"
                           id="a1"
                           x3="2.06455"
                           xFract="0.24461493"
                           y3="2.06271"
                           yFract="0.24439692"
                           z3="9.77796"
                           zFract="0.44005221"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33627"
                           xFract="0.75074289"
                           y3="4.1668"
                           yFract="0.49369668"
                           z3="8.57681"
                           zFract="0.38599505"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1236"
                           xFract="0.25161137"
                           y3="-0.07822"
                           yFract="-0.00926777"
                           z3="8.52089"
                           zFract="0.3834784"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01646"
                           xFract="0.00195024"
                           y3="0.02767"
                           yFract="0.00327844"
                           z3="6.4055"
                           zFract="0.28827633"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10342"
                           xFract="0.24922038"
                           y3="6.31169"
                           yFract="0.74783057"
                           z3="6.36828"
                           zFract="0.28660126"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09282"
                           xFract="0.24796445"
                           y3="2.11788"
                           yFract="0.25093365"
                           z3="6.30656"
                           zFract="0.28382358"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21378"
                           xFract="0.49926303"
                           y3="6.32156"
                           yFract="0.7490"
                           z3="4.26724"
                           zFract="0.192045"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23279"
                           xFract="0.5015154"
                           y3="2.10728"
                           yFract="0.24967773"
                           z3="4.23905"
                           zFract="0.19077633"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19017"
                           xFract="0.49646564"
                           y3="4.22022"
                           yFract="0.50002607"
                           z3="6.41599"
                           zFract="0.28874842"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0076"
                           xFract="0.00090047"
                           y3="4.20431"
                           yFract="0.498141"
                           z3="6.40148"
                           zFract="0.28809541"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00632"
                           xFract="-0.00074882"
                           y3="6.33145"
                           yFract="0.7501718"
                           z3="4.2818"
                           zFract="0.19270027"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01628"
                           xFract="-0.00192891"
                           y3="6.34407"
                           yFract="0.75166706"
                           z3="8.4268"
                           zFract="0.37924392"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20475"
                           xFract="0.49819313"
                           y3="-0.00702"
                           yFract="-0.00083175"
                           z3="6.39395"
                           zFract="0.28775653"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00656"
                           xFract="-0.00077725"
                           y3="2.13536"
                           yFract="0.25300474"
                           z3="4.24409"
                           zFract="0.19100315"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.23014"
                           xFract="-0.02726777"
                           y3="2.16014"
                           yFract="0.25594076"
                           z3="8.44249"
                           zFract="0.37995005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08728"
                           xFract="0.24730806"
                           y3="4.19983"
                           yFract="0.49761019"
                           z3="4.22625"
                           zFract="0.19020027"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33385"
                           xFract="0.75045616"
                           y3="0.02056"
                           yFract="0.00243602"
                           z3="4.23573"
                           zFract="0.19062691"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07483"
                           xFract="0.24583294"
                           y3="4.32659"
                           yFract="0.51262915"
                           z3="8.59257"
                           zFract="0.38670432"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33705"
                           xFract="0.75083531"
                           y3="2.12349"
                           yFract="0.25159834"
                           z3="6.38618"
                           zFract="0.28740684"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09373"
                           xFract="0.24807227"
                           y3="0.00645"
                           yFract="0.00076422"
                           z3="4.23222"
                           zFract="0.19046895"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25779"
                           xFract="0.50447749"
                           y3="6.30021"
                           yFract="0.74647038"
                           z3="8.4941"
                           zFract="0.38227273"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31537"
                           xFract="0.74826659"
                           y3="6.36211"
                           yFract="0.7538045"
                           z3="6.39056"
                           zFract="0.28760396"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3302"
                           xFract="0.7500237"
                           y3="4.17966"
                           yFract="0.49522038"
                           z3="4.27594"
                           zFract="0.19243654"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31358"
                           xFract="0.7480545"
                           y3="0.06686"
                           yFract="0.0079218"
                           z3="8.5763"
                           zFract="0.3859721"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.33119"
                           xFract="0.51317417"
                           y3="2.16108"
                           yFract="0.25605213"
                           z3="8.52962"
                           zFract="0.38387129"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06287"
                           xFract="0.00744905"
                           y3="2.12729"
                           yFract="0.25204858"
                           z3="6.32834"
                           zFract="0.28480378"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97312"
                           xFract="0.23378199"
                           y3="0.01327"
                           yFract="0.00157227"
                           z3="6.42082"
                           zFract="0.2889658"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.07183"
                           xFract="0.00851066"
                           y3="-0.04001"
                           yFract="-0.00474052"
                           z3="4.29551"
                           zFract="0.19331728"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10151"
                           xFract="0.01202725"
                           y3="0.07344"
                           yFract="0.00870142"
                           z3="8.44078"
                           zFract="0.37987309"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19239"
                           xFract="0.25976185"
                           y3="2.15777"
                           yFract="0.25565995"
                           z3="4.25352"
                           zFract="0.19142754"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31179"
                           xFract="0.27390877"
                           y3="1.95827"
                           yFract="0.23202251"
                           z3="8.83985"
                           zFract="0.39783303"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14398"
                           xFract="0.49099289"
                           y3="2.14911"
                           yFract="0.25463389"
                           z3="6.41543"
                           zFract="0.28872322"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.4835"
                           xFract="0.7681872"
                           y3="0.06939"
                           yFract="0.00822156"
                           z3="6.45126"
                           zFract="0.29033573"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13026"
                           xFract="0.4893673"
                           y3="-0.01047"
                           yFract="-0.00124052"
                           z3="4.29597"
                           zFract="0.19333798"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12202"
                           xFract="0.488391"
                           y3="-0.10978"
                           yFract="-0.01300711"
                           z3="8.46214"
                           zFract="0.38083438"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25752"
                           xFract="0.74141232"
                           y3="2.02348"
                           yFract="0.23974882"
                           z3="4.17055"
                           zFract="0.18769352"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20219"
                           xFract="0.73485664"
                           y3="2.0801"
                           yFract="0.24645735"
                           z3="9.07451"
                           zFract="0.40839379"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00041"
                           xFract="-0.00004858"
                           y3="6.32241"
                           yFract="0.74910071"
                           z3="6.37772"
                           zFract="0.2870261"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10412"
                           xFract="0.24930332"
                           y3="4.20525"
                           yFract="0.49825237"
                           z3="6.30201"
                           zFract="0.28361881"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14167"
                           xFract="-0.01678555"
                           y3="4.27835"
                           yFract="0.50691351"
                           z3="4.34817"
                           zFract="0.19568722"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03417"
                           xFract="0.00404858"
                           y3="4.2115"
                           yFract="0.49899289"
                           z3="8.50851"
                           zFract="0.38292124"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10581"
                           xFract="0.24950355"
                           y3="6.26765"
                           yFract="0.74261256"
                           z3="4.21258"
                           zFract="0.18958506"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03789"
                           xFract="0.24145616"
                           y3="6.40999"
                           yFract="0.75947749"
                           z3="8.48099"
                           zFract="0.38168272"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21515"
                           xFract="0.49942536"
                           y3="6.27875"
                           yFract="0.74392773"
                           z3="6.32351"
                           zFract="0.28458641"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31165"
                           xFract="0.74782583"
                           y3="4.17446"
                           yFract="0.49460427"
                           z3="6.54666"
                           zFract="0.29462916"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33812"
                           xFract="0.51399526"
                           y3="4.21973"
                           yFract="0.49996801"
                           z3="4.25084"
                           zFract="0.19130693"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.1444"
                           xFract="0.49104265"
                           y3="4.28907"
                           yFract="0.50818365"
                           z3="8.54686"
                           zFract="0.38464716"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32194"
                           xFract="0.74904502"
                           y3="6.4183"
                           yFract="0.76046209"
                           z3="4.22417"
                           zFract="0.19010666"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38569"
                           xFract="0.75659834"
                           y3="6.37206"
                           yFract="0.75498341"
                           z3="8.57715"
                           zFract="0.38601035"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.79">
                  <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="H"
                           id="a1"
                           x3="2.06446"
                           xFract="0.24460427"
                           y3="2.0628"
                           yFract="0.24440758"
                           z3="9.77743"
                           zFract="0.44002835"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33623"
                           xFract="0.75073815"
                           y3="4.16684"
                           yFract="0.49370142"
                           z3="8.57694"
                           zFract="0.3860009"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1236"
                           xFract="0.25161137"
                           y3="-0.07812"
                           yFract="-0.00925592"
                           z3="8.52096"
                           zFract="0.38348155"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01651"
                           xFract="0.00195616"
                           y3="0.02766"
                           yFract="0.00327725"
                           z3="6.40556"
                           zFract="0.28827903"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10341"
                           xFract="0.24921919"
                           y3="6.3117"
                           yFract="0.74783175"
                           z3="6.36832"
                           zFract="0.28660306"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09284"
                           xFract="0.24796682"
                           y3="2.11784"
                           yFract="0.25092891"
                           z3="6.30674"
                           zFract="0.28383168"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21378"
                           xFract="0.49926303"
                           y3="6.32153"
                           yFract="0.74899645"
                           z3="4.26722"
                           zFract="0.1920441"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23282"
                           xFract="0.50151896"
                           y3="2.10728"
                           yFract="0.24967773"
                           z3="4.23909"
                           zFract="0.19077813"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19018"
                           xFract="0.49646682"
                           y3="4.22018"
                           yFract="0.50002133"
                           z3="6.41606"
                           zFract="0.28875158"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00758"
                           xFract="0.0008981"
                           y3="4.20435"
                           yFract="0.49814573"
                           z3="6.40156"
                           zFract="0.28809901"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00629"
                           xFract="-0.00074526"
                           y3="6.33146"
                           yFract="0.75017299"
                           z3="4.28183"
                           zFract="0.19270162"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01631"
                           xFract="-0.00193246"
                           y3="6.34406"
                           yFract="0.75166588"
                           z3="8.42689"
                           zFract="0.37924797"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20479"
                           xFract="0.49819787"
                           y3="-0.00703"
                           yFract="-0.00083294"
                           z3="6.39392"
                           zFract="0.28775518"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00654"
                           xFract="-0.00077488"
                           y3="2.13539"
                           yFract="0.25300829"
                           z3="4.2442"
                           zFract="0.1910081"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.23035"
                           xFract="-0.02729265"
                           y3="2.16013"
                           yFract="0.25593957"
                           z3="8.44236"
                           zFract="0.37994419"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08728"
                           xFract="0.24730806"
                           y3="4.19982"
                           yFract="0.497609"
                           z3="4.2263"
                           zFract="0.19020252"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33386"
                           xFract="0.75045735"
                           y3="0.02059"
                           yFract="0.00243957"
                           z3="4.2358"
                           zFract="0.19063006"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07482"
                           xFract="0.24583175"
                           y3="4.32662"
                           yFract="0.5126327"
                           z3="8.59255"
                           zFract="0.38670342"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33697"
                           xFract="0.75082583"
                           y3="2.12346"
                           yFract="0.25159479"
                           z3="6.38627"
                           zFract="0.28741089"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09371"
                           xFract="0.24806991"
                           y3="0.00645"
                           yFract="0.00076422"
                           z3="4.23225"
                           zFract="0.1904703"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2578"
                           xFract="0.50447867"
                           y3="6.3002"
                           yFract="0.74646919"
                           z3="8.49412"
                           zFract="0.38227363"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31536"
                           xFract="0.7482654"
                           y3="6.36211"
                           yFract="0.7538045"
                           z3="6.39063"
                           zFract="0.28760711"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33021"
                           xFract="0.75002488"
                           y3="4.1797"
                           yFract="0.49522512"
                           z3="4.27596"
                           zFract="0.19243744"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31358"
                           xFract="0.7480545"
                           y3="0.06688"
                           yFract="0.00792417"
                           z3="8.57649"
                           zFract="0.38598065"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.33118"
                           xFract="0.51317299"
                           y3="2.1611"
                           yFract="0.2560545"
                           z3="8.52975"
                           zFract="0.38387714"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06289"
                           xFract="0.00745142"
                           y3="2.1273"
                           yFract="0.25204976"
                           z3="6.32852"
                           zFract="0.28481188"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97306"
                           xFract="0.23377488"
                           y3="0.0132"
                           yFract="0.00156398"
                           z3="6.42081"
                           zFract="0.28896535"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.07167"
                           xFract="0.00849171"
                           y3="-0.04002"
                           yFract="-0.00474171"
                           z3="4.29562"
                           zFract="0.19332223"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10153"
                           xFract="0.01202962"
                           y3="0.07345"
                           yFract="0.00870261"
                           z3="8.4408"
                           zFract="0.37987399"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19235"
                           xFract="0.25975711"
                           y3="2.15768"
                           yFract="0.25564929"
                           z3="4.25365"
                           zFract="0.19143339"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31184"
                           xFract="0.27391469"
                           y3="1.9582"
                           yFract="0.23201422"
                           z3="8.8401"
                           zFract="0.39784428"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14401"
                           xFract="0.49099645"
                           y3="2.14909"
                           yFract="0.25463152"
                           z3="6.41551"
                           zFract="0.28872682"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48351"
                           xFract="0.76818839"
                           y3="0.06944"
                           yFract="0.00822749"
                           z3="6.45146"
                           zFract="0.29034473"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.1304"
                           xFract="0.48938389"
                           y3="-0.01045"
                           yFract="-0.00123815"
                           z3="4.2960"
                           zFract="0.19333933"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12206"
                           xFract="0.48839573"
                           y3="-0.10984"
                           yFract="-0.01301422"
                           z3="8.46204"
                           zFract="0.38082988"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25761"
                           xFract="0.74142299"
                           y3="2.02352"
                           yFract="0.23975355"
                           z3="4.17058"
                           zFract="0.18769487"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20223"
                           xFract="0.73486137"
                           y3="2.08013"
                           yFract="0.2464609"
                           z3="9.07493"
                           zFract="0.40841269"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00046"
                           xFract="-0.0000545"
                           y3="6.32237"
                           yFract="0.74909597"
                           z3="6.3778"
                           zFract="0.2870297"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10412"
                           xFract="0.24930332"
                           y3="4.20531"
                           yFract="0.49825948"
                           z3="6.30207"
                           zFract="0.28362151"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14157"
                           xFract="-0.0167737"
                           y3="4.27837"
                           yFract="0.50691588"
                           z3="4.34822"
                           zFract="0.19568947"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03419"
                           xFract="0.00405095"
                           y3="4.21153"
                           yFract="0.49899645"
                           z3="8.50856"
                           zFract="0.38292349"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10583"
                           xFract="0.24950592"
                           y3="6.26775"
                           yFract="0.74262441"
                           z3="4.21262"
                           zFract="0.18958686"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03786"
                           xFract="0.24145261"
                           y3="6.41001"
                           yFract="0.75947986"
                           z3="8.48102"
                           zFract="0.38168407"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2152"
                           xFract="0.49943128"
                           y3="6.27876"
                           yFract="0.74392891"
                           z3="6.32352"
                           zFract="0.28458686"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31161"
                           xFract="0.74782109"
                           y3="4.1744"
                           yFract="0.49459716"
                           z3="6.54673"
                           zFract="0.29463231"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33807"
                           xFract="0.51398934"
                           y3="4.21969"
                           yFract="0.49996327"
                           z3="4.25085"
                           zFract="0.19130738"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14431"
                           xFract="0.49103199"
                           y3="4.28914"
                           yFract="0.50819194"
                           z3="8.54692"
                           zFract="0.38464986"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32194"
                           xFract="0.74904502"
                           y3="6.41824"
                           yFract="0.76045498"
                           z3="4.22416"
                           zFract="0.19010621"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38572"
                           xFract="0.7566019"
                           y3="6.37205"
                           yFract="0.75498223"
                           z3="8.57727"
                           zFract="0.38601575"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.80">
                  <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="H"
                           id="a1"
                           x3="2.0645"
                           xFract="0.244609"
                           y3="2.06276"
                           yFract="0.24440284"
                           z3="9.77767"
                           zFract="0.44003915"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33625"
                           xFract="0.75074052"
                           y3="4.16683"
                           yFract="0.49370024"
                           z3="8.57689"
                           zFract="0.38599865"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1236"
                           xFract="0.25161137"
                           y3="-0.07817"
                           yFract="-0.00926185"
                           z3="8.52093"
                           zFract="0.3834802"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01649"
                           xFract="0.00195379"
                           y3="0.02766"
                           yFract="0.00327725"
                           z3="6.40554"
                           zFract="0.28827813"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10341"
                           xFract="0.24921919"
                           y3="6.3117"
                           yFract="0.74783175"
                           z3="6.3683"
                           zFract="0.28660216"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09283"
                           xFract="0.24796564"
                           y3="2.11786"
                           yFract="0.25093128"
                           z3="6.30666"
                           zFract="0.28382808"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21378"
                           xFract="0.49926303"
                           y3="6.32154"
                           yFract="0.74899763"
                           z3="4.26723"
                           zFract="0.19204455"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2328"
                           xFract="0.50151659"
                           y3="2.10728"
                           yFract="0.24967773"
                           z3="4.23907"
                           zFract="0.19077723"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19017"
                           xFract="0.49646564"
                           y3="4.2202"
                           yFract="0.5000237"
                           z3="6.41603"
                           zFract="0.28875023"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00759"
                           xFract="0.00089929"
                           y3="4.20433"
                           yFract="0.49814336"
                           z3="6.40152"
                           zFract="0.28809721"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.0063"
                           xFract="-0.00074645"
                           y3="6.33145"
                           yFract="0.7501718"
                           z3="4.28182"
                           zFract="0.19270117"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.0163"
                           xFract="-0.00193128"
                           y3="6.34406"
                           yFract="0.75166588"
                           z3="8.42685"
                           zFract="0.37924617"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20477"
                           xFract="0.4981955"
                           y3="-0.00703"
                           yFract="-0.00083294"
                           z3="6.39393"
                           zFract="0.28775563"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00655"
                           xFract="-0.00077607"
                           y3="2.13538"
                           yFract="0.25300711"
                           z3="4.24415"
                           zFract="0.19100585"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.23026"
                           xFract="-0.02728199"
                           y3="2.16013"
                           yFract="0.25593957"
                           z3="8.44242"
                           zFract="0.37994689"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08728"
                           xFract="0.24730806"
                           y3="4.19983"
                           yFract="0.49761019"
                           z3="4.22627"
                           zFract="0.19020117"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33386"
                           xFract="0.75045735"
                           y3="0.02057"
                           yFract="0.0024372"
                           z3="4.23577"
                           zFract="0.19062871"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07482"
                           xFract="0.24583175"
                           y3="4.32661"
                           yFract="0.51263152"
                           z3="8.59255"
                           zFract="0.38670342"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3370"
                           xFract="0.75082938"
                           y3="2.12348"
                           yFract="0.25159716"
                           z3="6.38623"
                           zFract="0.28740909"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09372"
                           xFract="0.24807109"
                           y3="0.00645"
                           yFract="0.00076422"
                           z3="4.23223"
                           zFract="0.1904694"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25779"
                           xFract="0.50447749"
                           y3="6.3002"
                           yFract="0.74646919"
                           z3="8.49411"
                           zFract="0.38227318"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31536"
                           xFract="0.7482654"
                           y3="6.36211"
                           yFract="0.7538045"
                           z3="6.3906"
                           zFract="0.28760576"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3302"
                           xFract="0.7500237"
                           y3="4.17968"
                           yFract="0.49522275"
                           z3="4.27595"
                           zFract="0.19243699"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31358"
                           xFract="0.7480545"
                           y3="0.06687"
                           yFract="0.00792299"
                           z3="8.57641"
                           zFract="0.38597705"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.33118"
                           xFract="0.51317299"
                           y3="2.16109"
                           yFract="0.25605332"
                           z3="8.52969"
                           zFract="0.38387444"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06288"
                           xFract="0.00745024"
                           y3="2.1273"
                           yFract="0.25204976"
                           z3="6.32844"
                           zFract="0.28480828"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97309"
                           xFract="0.23377844"
                           y3="0.01323"
                           yFract="0.00156754"
                           z3="6.42081"
                           zFract="0.28896535"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.07174"
                           xFract="0.0085"
                           y3="-0.04002"
                           yFract="-0.00474171"
                           z3="4.29557"
                           zFract="0.19331998"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10152"
                           xFract="0.01202844"
                           y3="0.07345"
                           yFract="0.00870261"
                           z3="8.44079"
                           zFract="0.37987354"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19237"
                           xFract="0.25975948"
                           y3="2.15772"
                           yFract="0.25565403"
                           z3="4.25359"
                           zFract="0.19143069"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31182"
                           xFract="0.27391232"
                           y3="1.95823"
                           yFract="0.23201777"
                           z3="8.83999"
                           zFract="0.39783933"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14399"
                           xFract="0.49099408"
                           y3="2.1491"
                           yFract="0.2546327"
                           z3="6.41547"
                           zFract="0.28872502"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.4835"
                           xFract="0.7681872"
                           y3="0.06942"
                           yFract="0.00822512"
                           z3="6.45137"
                           zFract="0.29034068"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13034"
                           xFract="0.48937678"
                           y3="-0.01046"
                           yFract="-0.00123934"
                           z3="4.29599"
                           zFract="0.19333888"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12204"
                           xFract="0.48839336"
                           y3="-0.10981"
                           yFract="-0.01301066"
                           z3="8.46208"
                           zFract="0.38083168"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25757"
                           xFract="0.74141825"
                           y3="2.0235"
                           yFract="0.23975118"
                           z3="4.17057"
                           zFract="0.18769442"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20221"
                           xFract="0.734859"
                           y3="2.08011"
                           yFract="0.24645853"
                           z3="9.07474"
                           zFract="0.40840414"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00044"
                           xFract="-0.00005213"
                           y3="6.32239"
                           yFract="0.74909834"
                           z3="6.37776"
                           zFract="0.2870279"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10412"
                           xFract="0.24930332"
                           y3="4.20528"
                           yFract="0.49825592"
                           z3="6.30205"
                           zFract="0.28362061"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14161"
                           xFract="-0.01677844"
                           y3="4.27836"
                           yFract="0.50691469"
                           z3="4.3482"
                           zFract="0.19568857"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03418"
                           xFract="0.00404976"
                           y3="4.21151"
                           yFract="0.49899408"
                           z3="8.50854"
                           zFract="0.38292259"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10582"
                           xFract="0.24950474"
                           y3="6.26771"
                           yFract="0.74261967"
                           z3="4.2126"
                           zFract="0.18958596"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03787"
                           xFract="0.24145379"
                           y3="6.4100"
                           yFract="0.75947867"
                           z3="8.48101"
                           zFract="0.38168362"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21517"
                           xFract="0.49942773"
                           y3="6.27876"
                           yFract="0.74392891"
                           z3="6.32351"
                           zFract="0.28458641"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31163"
                           xFract="0.74782346"
                           y3="4.17443"
                           yFract="0.49460071"
                           z3="6.5467"
                           zFract="0.29463096"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33809"
                           xFract="0.51399171"
                           y3="4.21971"
                           yFract="0.49996564"
                           z3="4.25084"
                           zFract="0.19130693"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14435"
                           xFract="0.49103673"
                           y3="4.28911"
                           yFract="0.50818839"
                           z3="8.54689"
                           zFract="0.38464851"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32194"
                           xFract="0.74904502"
                           y3="6.41827"
                           yFract="0.76045853"
                           z3="4.22417"
                           zFract="0.19010666"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38571"
                           xFract="0.75660071"
                           y3="6.37205"
                           yFract="0.75498223"
                           z3="8.57721"
                           zFract="0.38601305"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a33" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.81">
                  <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="H"
                           id="a1"
                           x3="2.0635"
                           xFract="0.24449052"
                           y3="2.06333"
                           yFract="0.24447038"
                           z3="9.77663"
                           zFract="0.43999235"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33617"
                           xFract="0.75073104"
                           y3="4.16722"
                           yFract="0.49374645"
                           z3="8.57755"
                           zFract="0.38602835"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12355"
                           xFract="0.25160545"
                           y3="-0.07721"
                           yFract="-0.0091481"
                           z3="8.52168"
                           zFract="0.38351395"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01674"
                           xFract="0.00198341"
                           y3="0.02748"
                           yFract="0.00325592"
                           z3="6.40598"
                           zFract="0.28829793"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10333"
                           xFract="0.24920972"
                           y3="6.31173"
                           yFract="0.74783531"
                           z3="6.36847"
                           zFract="0.28660981"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.0931"
                           xFract="0.24799763"
                           y3="2.11766"
                           yFract="0.25090758"
                           z3="6.30754"
                           zFract="0.28386769"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21354"
                           xFract="0.4992346"
                           y3="6.3215"
                           yFract="0.74899289"
                           z3="4.26716"
                           zFract="0.1920414"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23276"
                           xFract="0.50151185"
                           y3="2.10724"
                           yFract="0.24967299"
                           z3="4.23922"
                           zFract="0.19078398"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19019"
                           xFract="0.49646801"
                           y3="4.22012"
                           yFract="0.50001422"
                           z3="6.41639"
                           zFract="0.28876643"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00748"
                           xFract="0.00088626"
                           y3="4.20442"
                           yFract="0.49815403"
                           z3="6.40196"
                           zFract="0.28811701"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00606"
                           xFract="-0.00071801"
                           y3="6.33144"
                           yFract="0.75017062"
                           z3="4.28204"
                           zFract="0.19271107"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.0164"
                           xFract="-0.00194313"
                           y3="6.34402"
                           yFract="0.75166114"
                           z3="8.42746"
                           zFract="0.37927363"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2049"
                           xFract="0.4982109"
                           y3="-0.00716"
                           yFract="-0.00084834"
                           z3="6.39399"
                           zFract="0.28775833"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00637"
                           xFract="-0.00075474"
                           y3="2.13546"
                           yFract="0.25301659"
                           z3="4.24457"
                           zFract="0.19102475"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.23098"
                           xFract="-0.0273673"
                           y3="2.16003"
                           yFract="0.25592773"
                           z3="8.4422"
                           zFract="0.37993699"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08727"
                           xFract="0.24730687"
                           y3="4.19976"
                           yFract="0.4976019"
                           z3="4.22634"
                           zFract="0.19020432"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33389"
                           xFract="0.7504609"
                           y3="0.02084"
                           yFract="0.00246919"
                           z3="4.23595"
                           zFract="0.19063681"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07485"
                           xFract="0.24583531"
                           y3="4.32685"
                           yFract="0.51265995"
                           z3="8.59266"
                           zFract="0.38670837"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33674"
                           xFract="0.75079858"
                           y3="2.12328"
                           yFract="0.25157346"
                           z3="6.38642"
                           zFract="0.28741764"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.0938"
                           xFract="0.24808057"
                           y3="0.00655"
                           yFract="0.00077607"
                           z3="4.23248"
                           zFract="0.19048065"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25775"
                           xFract="0.50447275"
                           y3="6.30017"
                           yFract="0.74646564"
                           z3="8.49426"
                           zFract="0.38227993"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31509"
                           xFract="0.74823341"
                           y3="6.36218"
                           yFract="0.7538128"
                           z3="6.39099"
                           zFract="0.28762331"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3303"
                           xFract="0.75003555"
                           y3="4.17958"
                           yFract="0.4952109"
                           z3="4.2760"
                           zFract="0.19243924"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31343"
                           xFract="0.74803673"
                           y3="0.06677"
                           yFract="0.00791114"
                           z3="8.5773"
                           zFract="0.3860171"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.33077"
                           xFract="0.51312441"
                           y3="2.16123"
                           yFract="0.25606991"
                           z3="8.53018"
                           zFract="0.38389649"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06284"
                           xFract="0.0074455"
                           y3="2.12702"
                           yFract="0.25201659"
                           z3="6.32896"
                           zFract="0.28483168"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97281"
                           xFract="0.23374526"
                           y3="0.01308"
                           yFract="0.00154976"
                           z3="6.42049"
                           zFract="0.28895095"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.07117"
                           xFract="0.00843246"
                           y3="-0.03994"
                           yFract="-0.00473223"
                           z3="4.29606"
                           zFract="0.19334203"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10194"
                           xFract="0.0120782"
                           y3="0.07332"
                           yFract="0.0086872"
                           z3="8.44075"
                           zFract="0.37987174"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19207"
                           xFract="0.25972393"
                           y3="2.15743"
                           yFract="0.25561967"
                           z3="4.25416"
                           zFract="0.19145635"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.3123"
                           xFract="0.27396919"
                           y3="1.95765"
                           yFract="0.23194905"
                           z3="8.83937"
                           zFract="0.39781143"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14438"
                           xFract="0.49104028"
                           y3="2.14913"
                           yFract="0.25463626"
                           z3="6.41543"
                           zFract="0.28872322"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48366"
                           xFract="0.76820616"
                           y3="0.06954"
                           yFract="0.00823934"
                           z3="6.45209"
                           zFract="0.29037309"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13097"
                           xFract="0.48945142"
                           y3="-0.01028"
                           yFract="-0.00121801"
                           z3="4.29648"
                           zFract="0.19336094"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.1221"
                           xFract="0.48840047"
                           y3="-0.11014"
                           yFract="-0.01304976"
                           z3="8.46193"
                           zFract="0.38082493"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25792"
                           xFract="0.74145972"
                           y3="2.02347"
                           yFract="0.23974763"
                           z3="4.17087"
                           zFract="0.18770792"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20241"
                           xFract="0.7348827"
                           y3="2.08023"
                           yFract="0.24647275"
                           z3="9.07653"
                           zFract="0.4084847"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00065"
                           xFract="-0.00007701"
                           y3="6.32248"
                           yFract="0.749109"
                           z3="6.37791"
                           zFract="0.28703465"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10403"
                           xFract="0.24929265"
                           y3="4.20551"
                           yFract="0.49828318"
                           z3="6.30239"
                           zFract="0.28363591"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14123"
                           xFract="-0.01673341"
                           y3="4.27836"
                           yFract="0.50691469"
                           z3="4.34842"
                           zFract="0.19569847"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03439"
                           xFract="0.00407464"
                           y3="4.21203"
                           yFract="0.49905569"
                           z3="8.50869"
                           zFract="0.38292934"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10587"
                           xFract="0.24951066"
                           y3="6.26797"
                           yFract="0.74265047"
                           z3="4.2128"
                           zFract="0.18959496"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03797"
                           xFract="0.24146564"
                           y3="6.4097"
                           yFract="0.75944313"
                           z3="8.48088"
                           zFract="0.38167777"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21517"
                           xFract="0.49942773"
                           y3="6.27868"
                           yFract="0.74391943"
                           z3="6.32377"
                           zFract="0.28459811"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3116"
                           xFract="0.74781991"
                           y3="4.17427"
                           yFract="0.49458175"
                           z3="6.54687"
                           zFract="0.29463861"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33781"
                           xFract="0.51395853"
                           y3="4.21977"
                           yFract="0.49997275"
                           z3="4.25112"
                           zFract="0.19131953"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14403"
                           xFract="0.49099882"
                           y3="4.28948"
                           yFract="0.50823223"
                           z3="8.54702"
                           zFract="0.38465437"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32201"
                           xFract="0.74905332"
                           y3="6.41817"
                           yFract="0.76044668"
                           z3="4.22414"
                           zFract="0.19010531"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38579"
                           xFract="0.75661019"
                           y3="6.37188"
                           yFract="0.75496209"
                           z3="8.5777"
                           zFract="0.3860351"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.82">
                  <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="H"
                           id="a1"
                           x3="2.0605"
                           xFract="0.24413507"
                           y3="2.06503"
                           yFract="0.2446718"
                           z3="9.7735"
                           zFract="0.43985149"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33596"
                           xFract="0.75070616"
                           y3="4.16838"
                           yFract="0.49388389"
                           z3="8.57955"
                           zFract="0.38611836"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12342"
                           xFract="0.25159005"
                           y3="-0.07434"
                           yFract="-0.00880806"
                           z3="8.52395"
                           zFract="0.38361611"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01748"
                           xFract="0.00207109"
                           y3="0.02691"
                           yFract="0.00318839"
                           z3="6.4073"
                           zFract="0.28835734"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10309"
                           xFract="0.24918128"
                           y3="6.31182"
                           yFract="0.74784597"
                           z3="6.36898"
                           zFract="0.28663276"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09391"
                           xFract="0.2480936"
                           y3="2.11705"
                           yFract="0.25083531"
                           z3="6.31018"
                           zFract="0.2839865"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21284"
                           xFract="0.49915166"
                           y3="6.32137"
                           yFract="0.74897749"
                           z3="4.26693"
                           zFract="0.19203105"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23262"
                           xFract="0.50149526"
                           y3="2.10714"
                           yFract="0.24966114"
                           z3="4.23966"
                           zFract="0.19080378"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19023"
                           xFract="0.49647275"
                           y3="4.21988"
                           yFract="0.49998578"
                           z3="6.41747"
                           zFract="0.28881503"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00715"
                           xFract="0.00084716"
                           y3="4.20468"
                           yFract="0.49818483"
                           z3="6.40328"
                           zFract="0.28817642"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00532"
                           xFract="-0.00063033"
                           y3="6.33141"
                           yFract="0.75016706"
                           z3="4.28271"
                           zFract="0.19274122"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01671"
                           xFract="-0.00197986"
                           y3="6.3439"
                           yFract="0.75164692"
                           z3="8.42928"
                           zFract="0.37935554"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20528"
                           xFract="0.49825592"
                           y3="-0.00756"
                           yFract="-0.00089573"
                           z3="6.39417"
                           zFract="0.28776643"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00582"
                           xFract="-0.00068957"
                           y3="2.13573"
                           yFract="0.25304858"
                           z3="4.24583"
                           zFract="0.19108146"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.23314"
                           xFract="-0.02762322"
                           y3="2.1597"
                           yFract="0.25588863"
                           z3="8.44154"
                           zFract="0.37990729"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08726"
                           xFract="0.24730569"
                           y3="4.19957"
                           yFract="0.49757938"
                           z3="4.22654"
                           zFract="0.19021332"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33399"
                           xFract="0.75047275"
                           y3="0.02166"
                           yFract="0.00256635"
                           z3="4.2365"
                           zFract="0.19066157"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07494"
                           xFract="0.24584597"
                           y3="4.3276"
                           yFract="0.51274882"
                           z3="8.59298"
                           zFract="0.38672277"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33596"
                           xFract="0.75070616"
                           y3="2.12269"
                           yFract="0.25150355"
                           z3="6.38698"
                           zFract="0.28744284"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09403"
                           xFract="0.24810782"
                           y3="0.00684"
                           yFract="0.00081043"
                           z3="4.23321"
                           zFract="0.1905135"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25763"
                           xFract="0.50445853"
                           y3="6.30009"
                           yFract="0.74645616"
                           z3="8.49473"
                           zFract="0.38230108"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31428"
                           xFract="0.74813744"
                           y3="6.36238"
                           yFract="0.75383649"
                           z3="6.39215"
                           zFract="0.28767552"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3306"
                           xFract="0.75007109"
                           y3="4.17927"
                           yFract="0.49517417"
                           z3="4.27615"
                           zFract="0.19244599"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31299"
                           xFract="0.7479846"
                           y3="0.06646"
                           yFract="0.00787441"
                           z3="8.57998"
                           zFract="0.38613771"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.32951"
                           xFract="0.51297512"
                           y3="2.16164"
                           yFract="0.25611848"
                           z3="8.53167"
                           zFract="0.38396355"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0627"
                           xFract="0.00742891"
                           y3="2.12619"
                           yFract="0.25191825"
                           z3="6.33052"
                           zFract="0.28490189"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97196"
                           xFract="0.23364455"
                           y3="0.01262"
                           yFract="0.00149526"
                           z3="6.41953"
                           zFract="0.28890774"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.06944"
                           xFract="0.00822749"
                           y3="-0.03973"
                           yFract="-0.00470735"
                           z3="4.29755"
                           zFract="0.19340909"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.1032"
                           xFract="0.01222749"
                           y3="0.07292"
                           yFract="0.00863981"
                           z3="8.44064"
                           zFract="0.37986679"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19118"
                           xFract="0.25961848"
                           y3="2.15655"
                           yFract="0.2555154"
                           z3="4.25588"
                           zFract="0.19153375"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31374"
                           xFract="0.27413981"
                           y3="1.9559"
                           yFract="0.23174171"
                           z3="8.83753"
                           zFract="0.39772862"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14555"
                           xFract="0.49117891"
                           y3="2.14923"
                           yFract="0.2546481"
                           z3="6.41529"
                           zFract="0.28871692"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48412"
                           xFract="0.76826066"
                           y3="0.0699"
                           yFract="0.00828199"
                           z3="6.45426"
                           zFract="0.29047075"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13289"
                           xFract="0.48967891"
                           y3="-0.00972"
                           yFract="-0.00115166"
                           z3="4.29797"
                           zFract="0.19342799"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12228"
                           xFract="0.4884218"
                           y3="-0.11112"
                           yFract="-0.01316588"
                           z3="8.46147"
                           zFract="0.38080423"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25896"
                           xFract="0.74158294"
                           y3="2.02338"
                           yFract="0.23973697"
                           z3="4.17177"
                           zFract="0.18774842"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20299"
                           xFract="0.73495142"
                           y3="2.08057"
                           yFract="0.24651303"
                           z3="9.08189"
                           zFract="0.40872592"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00129"
                           xFract="-0.00015284"
                           y3="6.32276"
                           yFract="0.74914218"
                           z3="6.37836"
                           zFract="0.28705491"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10375"
                           xFract="0.24925948"
                           y3="4.20621"
                           yFract="0.49836611"
                           z3="6.30341"
                           zFract="0.28368182"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.14008"
                           xFract="-0.01659716"
                           y3="4.27836"
                           yFract="0.50691469"
                           z3="4.34911"
                           zFract="0.19572952"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03502"
                           xFract="0.00414929"
                           y3="4.21356"
                           yFract="0.49923697"
                           z3="8.50915"
                           zFract="0.38295005"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10601"
                           xFract="0.24952725"
                           y3="6.26876"
                           yFract="0.74274408"
                           z3="4.21341"
                           zFract="0.18962241"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03828"
                           xFract="0.24150237"
                           y3="6.40881"
                           yFract="0.75933768"
                           z3="8.48049"
                           zFract="0.38166022"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21516"
                           xFract="0.49942654"
                           y3="6.27844"
                           yFract="0.743891"
                           z3="6.32455"
                           zFract="0.28463321"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31152"
                           xFract="0.74781043"
                           y3="4.17378"
                           yFract="0.4945237"
                           z3="6.54737"
                           zFract="0.29466112"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33697"
                           xFract="0.513859"
                           y3="4.21996"
                           yFract="0.49999526"
                           z3="4.25193"
                           zFract="0.19135599"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14306"
                           xFract="0.49088389"
                           y3="4.2906"
                           yFract="0.50836493"
                           z3="8.54743"
                           zFract="0.38467282"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32221"
                           xFract="0.74907701"
                           y3="6.41789"
                           yFract="0.76041351"
                           z3="4.22405"
                           zFract="0.19010126"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38604"
                           xFract="0.75663981"
                           y3="6.37136"
                           yFract="0.75490047"
                           z3="8.57917"
                           zFract="0.38610126"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.83">
                  <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="H"
                           id="a1"
                           x3="2.0545"
                           xFract="0.24342417"
                           y3="2.06842"
                           yFract="0.24507346"
                           z3="9.76725"
                           zFract="0.43957021"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33553"
                           xFract="0.75065521"
                           y3="4.17072"
                           yFract="0.49416114"
                           z3="8.58354"
                           zFract="0.38629793"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12314"
                           xFract="0.25155687"
                           y3="-0.06861"
                           yFract="-0.00812915"
                           z3="8.52848"
                           zFract="0.38381998"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01898"
                           xFract="0.00224882"
                           y3="0.02579"
                           yFract="0.00305569"
                           z3="6.40995"
                           zFract="0.2884766"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.1026"
                           xFract="0.24912322"
                           y3="6.31202"
                           yFract="0.74786967"
                           z3="6.3700"
                           zFract="0.28667867"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09553"
                           xFract="0.24828555"
                           y3="2.11583"
                           yFract="0.25069076"
                           z3="6.31546"
                           zFract="0.28422412"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21143"
                           xFract="0.4989846"
                           y3="6.3211"
                           yFract="0.7489455"
                           z3="4.26647"
                           zFract="0.19201035"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23235"
                           xFract="0.50146327"
                           y3="2.10694"
                           yFract="0.24963744"
                           z3="4.24054"
                           zFract="0.19084338"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19031"
                           xFract="0.49648223"
                           y3="4.2194"
                           yFract="0.49992891"
                           z3="6.41964"
                           zFract="0.28891269"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00649"
                           xFract="0.00076896"
                           y3="4.20521"
                           yFract="0.49824763"
                           z3="6.40591"
                           zFract="0.28829478"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00384"
                           xFract="-0.00045498"
                           y3="6.33133"
                           yFract="0.75015758"
                           z3="4.28406"
                           zFract="0.19280198"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01734"
                           xFract="-0.0020545"
                           y3="6.34365"
                           yFract="0.7516173"
                           z3="8.43292"
                           zFract="0.37951935"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20604"
                           xFract="0.49834597"
                           y3="-0.00836"
                           yFract="-0.00099052"
                           z3="6.39453"
                           zFract="0.28778263"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00473"
                           xFract="-0.00056043"
                           y3="2.13626"
                           yFract="0.25311137"
                           z3="4.24835"
                           zFract="0.19119487"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.23747"
                           xFract="-0.02813626"
                           y3="2.15906"
                           yFract="0.2558128"
                           z3="8.44022"
                           zFract="0.37984788"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08722"
                           xFract="0.24730095"
                           y3="4.19919"
                           yFract="0.49753436"
                           z3="4.22693"
                           zFract="0.19023087"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33419"
                           xFract="0.75049645"
                           y3="0.02328"
                           yFract="0.00275829"
                           z3="4.23761"
                           zFract="0.19071152"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07511"
                           xFract="0.24586611"
                           y3="4.32908"
                           yFract="0.51292417"
                           z3="8.59363"
                           zFract="0.38675203"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33441"
                           xFract="0.75052251"
                           y3="2.12152"
                           yFract="0.25136493"
                           z3="6.38811"
                           zFract="0.2874937"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.0945"
                           xFract="0.24816351"
                           y3="0.00744"
                           yFract="0.00088152"
                           z3="4.23467"
                           zFract="0.19057921"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2574"
                           xFract="0.50443128"
                           y3="6.29993"
                           yFract="0.7464372"
                           z3="8.49567"
                           zFract="0.38234338"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31264"
                           xFract="0.74794313"
                           y3="6.3628"
                           yFract="0.75388626"
                           z3="6.39447"
                           zFract="0.28777993"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3312"
                           xFract="0.75014218"
                           y3="4.17865"
                           yFract="0.49510071"
                           z3="4.27644"
                           zFract="0.19245905"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31211"
                           xFract="0.74788033"
                           y3="0.06585"
                           yFract="0.00780213"
                           z3="8.58535"
                           zFract="0.38637939"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.3270"
                           xFract="0.51267773"
                           y3="2.16245"
                           yFract="0.25621445"
                           z3="8.53465"
                           zFract="0.38409766"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06242"
                           xFract="0.00739573"
                           y3="2.12453"
                           yFract="0.25172156"
                           z3="6.33363"
                           zFract="0.28504185"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97027"
                           xFract="0.23344431"
                           y3="0.01169"
                           yFract="0.00138507"
                           z3="6.41761"
                           zFract="0.28882133"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.06599"
                           xFract="0.00781872"
                           y3="-0.03931"
                           yFract="-0.00465758"
                           z3="4.30051"
                           zFract="0.1935423"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10572"
                           xFract="0.01252607"
                           y3="0.07213"
                           yFract="0.00854621"
                           z3="8.44042"
                           zFract="0.37985689"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1894"
                           xFract="0.25940758"
                           y3="2.15478"
                           yFract="0.25530569"
                           z3="4.25931"
                           zFract="0.19168812"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31661"
                           xFract="0.27447986"
                           y3="1.9524"
                           yFract="0.23132701"
                           z3="8.83385"
                           zFract="0.39756301"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14789"
                           xFract="0.49145616"
                           y3="2.14943"
                           yFract="0.2546718"
                           z3="6.41503"
                           zFract="0.28870522"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48505"
                           xFract="0.76837085"
                           y3="0.07062"
                           yFract="0.0083673"
                           z3="6.45859"
                           zFract="0.29066562"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13671"
                           xFract="0.49013152"
                           y3="-0.0086"
                           yFract="-0.00101896"
                           z3="4.30095"
                           zFract="0.19356211"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12263"
                           xFract="0.48846327"
                           y3="-0.1131"
                           yFract="-0.01340047"
                           z3="8.46054"
                           zFract="0.38076238"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.26103"
                           xFract="0.7418282"
                           y3="2.02319"
                           yFract="0.23971445"
                           z3="4.17358"
                           zFract="0.18782988"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20417"
                           xFract="0.73509123"
                           y3="2.08126"
                           yFract="0.24659479"
                           z3="9.09262"
                           zFract="0.40920882"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00256"
                           xFract="-0.00030332"
                           y3="6.3233"
                           yFract="0.74920616"
                           z3="6.37926"
                           zFract="0.28709541"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10319"
                           xFract="0.24919313"
                           y3="4.2076"
                           yFract="0.49853081"
                           z3="6.30544"
                           zFract="0.28377318"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13779"
                           xFract="-0.01632583"
                           y3="4.27835"
                           yFract="0.50691351"
                           z3="4.35047"
                           zFract="0.19579073"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03628"
                           xFract="0.00429858"
                           y3="4.21663"
                           yFract="0.49960071"
                           z3="8.51006"
                           zFract="0.382991"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10628"
                           xFract="0.24955924"
                           y3="6.27033"
                           yFract="0.74293009"
                           z3="4.21463"
                           zFract="0.18967732"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03888"
                           xFract="0.24157346"
                           y3="6.40702"
                           yFract="0.75912559"
                           z3="8.47971"
                           zFract="0.38162511"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21515"
                           xFract="0.49942536"
                           y3="6.27797"
                           yFract="0.74383531"
                           z3="6.32611"
                           zFract="0.28470342"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31136"
                           xFract="0.74779147"
                           y3="4.17281"
                           yFract="0.49440877"
                           z3="6.54839"
                           zFract="0.29470702"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33528"
                           xFract="0.51365877"
                           y3="4.22034"
                           yFract="0.50004028"
                           z3="4.25357"
                           zFract="0.19142979"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14113"
                           xFract="0.49065521"
                           y3="4.29282"
                           yFract="0.50862796"
                           z3="8.54823"
                           zFract="0.38470882"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32261"
                           xFract="0.74912441"
                           y3="6.41732"
                           yFract="0.76034597"
                           z3="4.22386"
                           zFract="0.19009271"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38653"
                           xFract="0.75669787"
                           y3="6.37031"
                           yFract="0.75477607"
                           z3="8.58212"
                           zFract="0.38623402"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.84">
                  <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="H"
                           id="a1"
                           x3="2.05883"
                           xFract="0.2439372"
                           y3="2.06597"
                           yFract="0.24478318"
                           z3="9.77177"
                           zFract="0.43977363"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33584"
                           xFract="0.75069194"
                           y3="4.16903"
                           yFract="0.4939609"
                           z3="8.58065"
                           zFract="0.38616787"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12334"
                           xFract="0.25158057"
                           y3="-0.07276"
                           yFract="-0.00862085"
                           z3="8.5252"
                           zFract="0.38367237"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0179"
                           xFract="0.00212085"
                           y3="0.0266"
                           yFract="0.00315166"
                           z3="6.40804"
                           zFract="0.28839064"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10295"
                           xFract="0.24916469"
                           y3="6.31188"
                           yFract="0.74785308"
                           z3="6.36926"
                           zFract="0.28664536"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09436"
                           xFract="0.24814692"
                           y3="2.11671"
                           yFract="0.25079502"
                           z3="6.31165"
                           zFract="0.28405266"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21245"
                           xFract="0.49910545"
                           y3="6.32129"
                           yFract="0.74896801"
                           z3="4.2668"
                           zFract="0.1920252"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23255"
                           xFract="0.50148697"
                           y3="2.10709"
                           yFract="0.24965521"
                           z3="4.2399"
                           zFract="0.19081458"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19025"
                           xFract="0.49647512"
                           y3="4.21975"
                           yFract="0.49997038"
                           z3="6.41807"
                           zFract="0.28884203"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00697"
                           xFract="0.00082583"
                           y3="4.20483"
                           yFract="0.49820261"
                           z3="6.40401"
                           zFract="0.28820927"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00491"
                           xFract="-0.00058175"
                           y3="6.33139"
                           yFract="0.75016469"
                           z3="4.28309"
                           zFract="0.19275833"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01689"
                           xFract="-0.00200118"
                           y3="6.34383"
                           yFract="0.75163863"
                           z3="8.43029"
                           zFract="0.37940099"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20549"
                           xFract="0.49828081"
                           y3="-0.00778"
                           yFract="-0.0009218"
                           z3="6.39427"
                           zFract="0.28777093"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00552"
                           xFract="-0.00065403"
                           y3="2.13588"
                           yFract="0.25306635"
                           z3="4.24653"
                           zFract="0.19111296"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.23434"
                           xFract="-0.0277654"
                           y3="2.15952"
                           yFract="0.2558673"
                           z3="8.44117"
                           zFract="0.37989064"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08724"
                           xFract="0.24730332"
                           y3="4.19946"
                           yFract="0.49756635"
                           z3="4.22665"
                           zFract="0.19021827"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33404"
                           xFract="0.75047867"
                           y3="0.0221"
                           yFract="0.00261848"
                           z3="4.23681"
                           zFract="0.19067552"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07499"
                           xFract="0.2458519"
                           y3="4.32801"
                           yFract="0.51279739"
                           z3="8.59316"
                           zFract="0.38673087"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33553"
                           xFract="0.75065521"
                           y3="2.12237"
                           yFract="0.25146564"
                           z3="6.38729"
                           zFract="0.2874568"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09416"
                           xFract="0.24812322"
                           y3="0.00701"
                           yFract="0.00083057"
                           z3="4.23362"
                           zFract="0.19053195"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25757"
                           xFract="0.50445142"
                           y3="6.30005"
                           yFract="0.74645142"
                           z3="8.49499"
                           zFract="0.38231278"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31382"
                           xFract="0.74808294"
                           y3="6.3625"
                           yFract="0.75385071"
                           z3="6.39279"
                           zFract="0.28770432"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33077"
                           xFract="0.75009123"
                           y3="4.1791"
                           yFract="0.49515403"
                           z3="4.27623"
                           zFract="0.19244959"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31275"
                           xFract="0.74795616"
                           y3="0.06629"
                           yFract="0.00785427"
                           z3="8.58147"
                           zFract="0.38620477"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.32882"
                           xFract="0.51289336"
                           y3="2.16186"
                           yFract="0.25614455"
                           z3="8.5325"
                           zFract="0.3840009"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06262"
                           xFract="0.00741943"
                           y3="2.12573"
                           yFract="0.25186374"
                           z3="6.33138"
                           zFract="0.28494059"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97149"
                           xFract="0.23358886"
                           y3="0.01236"
                           yFract="0.00146445"
                           z3="6.4190"
                           zFract="0.28888389"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.06849"
                           xFract="0.00811493"
                           y3="-0.03962"
                           yFract="-0.00469431"
                           z3="4.29837"
                           zFract="0.19344599"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.1039"
                           xFract="0.01231043"
                           y3="0.0727"
                           yFract="0.00861374"
                           z3="8.44058"
                           zFract="0.37986409"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19069"
                           xFract="0.25956043"
                           y3="2.15606"
                           yFract="0.25545735"
                           z3="4.25683"
                           zFract="0.19157651"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31453"
                           xFract="0.27423341"
                           y3="1.95493"
                           yFract="0.23162678"
                           z3="8.83651"
                           zFract="0.39768272"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.1462"
                           xFract="0.49125592"
                           y3="2.14928"
                           yFract="0.25465403"
                           z3="6.41522"
                           zFract="0.28871377"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48438"
                           xFract="0.76829147"
                           y3="0.0701"
                           yFract="0.00830569"
                           z3="6.45546"
                           zFract="0.29052475"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13395"
                           xFract="0.4898045"
                           y3="-0.00941"
                           yFract="-0.00111493"
                           z3="4.29879"
                           zFract="0.1934649"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12238"
                           xFract="0.48843365"
                           y3="-0.11167"
                           yFract="-0.01323104"
                           z3="8.46121"
                           zFract="0.38079253"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25953"
                           xFract="0.74165047"
                           y3="2.02333"
                           yFract="0.23973104"
                           z3="4.17227"
                           zFract="0.18777093"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20332"
                           xFract="0.73499052"
                           y3="2.08076"
                           yFract="0.24653555"
                           z3="9.08487"
                           zFract="0.40886004"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00164"
                           xFract="-0.00019431"
                           y3="6.32291"
                           yFract="0.74915995"
                           z3="6.37861"
                           zFract="0.28706616"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10359"
                           xFract="0.24924052"
                           y3="4.2066"
                           yFract="0.49841232"
                           z3="6.30397"
                           zFract="0.28370702"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13945"
                           xFract="-0.01652251"
                           y3="4.27835"
                           yFract="0.50691351"
                           z3="4.34949"
                           zFract="0.19574662"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03537"
                           xFract="0.00419076"
                           y3="4.21441"
                           yFract="0.49933768"
                           z3="8.5094"
                           zFract="0.3829613"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10608"
                           xFract="0.24953555"
                           y3="6.2692"
                           yFract="0.74279621"
                           z3="4.21375"
                           zFract="0.18963771"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03844"
                           xFract="0.24152133"
                           y3="6.40831"
                           yFract="0.75927844"
                           z3="8.48027"
                           zFract="0.38165032"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21516"
                           xFract="0.49942654"
                           y3="6.27831"
                           yFract="0.74387559"
                           z3="6.32498"
                           zFract="0.28465257"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31147"
                           xFract="0.7478045"
                           y3="4.17351"
                           yFract="0.49449171"
                           z3="6.54766"
                           zFract="0.29467417"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3365"
                           xFract="0.51380332"
                           y3="4.22007"
                           yFract="0.50000829"
                           z3="4.25239"
                           zFract="0.19137669"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14253"
                           xFract="0.49082109"
                           y3="4.29121"
                           yFract="0.5084372"
                           z3="8.54765"
                           zFract="0.38468272"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32232"
                           xFract="0.74909005"
                           y3="6.41773"
                           yFract="0.76039455"
                           z3="4.2240"
                           zFract="0.19009901"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38617"
                           xFract="0.75665521"
                           y3="6.37107"
                           yFract="0.75486611"
                           z3="8.57999"
                           zFract="0.38613816"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.85">
                  <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="H"
                           id="a1"
                           x3="2.05613"
                           xFract="0.2436173"
                           y3="2.06741"
                           yFract="0.24495379"
                           z3="9.77082"
                           zFract="0.43973087"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33597"
                           xFract="0.75070735"
                           y3="4.16972"
                           yFract="0.49404265"
                           z3="8.5819"
                           zFract="0.38622412"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12358"
                           xFract="0.251609"
                           y3="-0.07347"
                           yFract="-0.00870498"
                           z3="8.52637"
                           zFract="0.38372502"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01751"
                           xFract="0.00207464"
                           y3="0.02608"
                           yFract="0.00309005"
                           z3="6.40879"
                           zFract="0.28842439"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10273"
                           xFract="0.24913863"
                           y3="6.3120"
                           yFract="0.7478673"
                           z3="6.36985"
                           zFract="0.28667192"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.0948"
                           xFract="0.24819905"
                           y3="2.1166"
                           yFract="0.25078199"
                           z3="6.31298"
                           zFract="0.28411251"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21223"
                           xFract="0.49907938"
                           y3="6.32133"
                           yFract="0.74897275"
                           z3="4.26717"
                           zFract="0.19204185"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2322"
                           xFract="0.5014455"
                           y3="2.10721"
                           yFract="0.24966943"
                           z3="4.24016"
                           zFract="0.19082628"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19022"
                           xFract="0.49647156"
                           y3="4.22005"
                           yFract="0.50000592"
                           z3="6.41848"
                           zFract="0.28886049"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00683"
                           xFract="0.00080924"
                           y3="4.2049"
                           yFract="0.4982109"
                           z3="6.40465"
                           zFract="0.28823807"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00473"
                           xFract="-0.00056043"
                           y3="6.33133"
                           yFract="0.75015758"
                           z3="4.28366"
                           zFract="0.19278398"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01645"
                           xFract="-0.00194905"
                           y3="6.34384"
                           yFract="0.75163981"
                           z3="8.43121"
                           zFract="0.37944239"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20566"
                           xFract="0.49830095"
                           y3="-0.00816"
                           yFract="-0.00096682"
                           z3="6.39482"
                           zFract="0.28779568"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00503"
                           xFract="-0.00059597"
                           y3="2.13589"
                           yFract="0.25306754"
                           z3="4.24715"
                           zFract="0.19114086"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.23584"
                           xFract="-0.02794313"
                           y3="2.15955"
                           yFract="0.25587085"
                           z3="8.44132"
                           zFract="0.37989739"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08723"
                           xFract="0.24730213"
                           y3="4.19916"
                           yFract="0.49753081"
                           z3="4.22694"
                           zFract="0.19023132"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33429"
                           xFract="0.75050829"
                           y3="0.02196"
                           yFract="0.0026019"
                           z3="4.23702"
                           zFract="0.19068497"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07495"
                           xFract="0.24584716"
                           y3="4.32891"
                           yFract="0.51290403"
                           z3="8.59359"
                           zFract="0.38675023"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33541"
                           xFract="0.750641"
                           y3="2.12201"
                           yFract="0.25142299"
                           z3="6.38759"
                           zFract="0.2874703"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09432"
                           xFract="0.24814218"
                           y3="0.00742"
                           yFract="0.00087915"
                           z3="4.23415"
                           zFract="0.19055581"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25706"
                           xFract="0.504391"
                           y3="6.30031"
                           yFract="0.74648223"
                           z3="8.49541"
                           zFract="0.38233168"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.3133"
                           xFract="0.74802133"
                           y3="6.36273"
                           yFract="0.75387796"
                           z3="6.39323"
                           zFract="0.28772412"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33099"
                           xFract="0.7501173"
                           y3="4.17883"
                           yFract="0.49512204"
                           z3="4.2764"
                           zFract="0.19245725"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31214"
                           xFract="0.74788389"
                           y3="0.06624"
                           yFract="0.00784834"
                           z3="8.58308"
                           zFract="0.38627723"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.33016"
                           xFract="0.51305213"
                           y3="2.16232"
                           yFract="0.25619905"
                           z3="8.53349"
                           zFract="0.38404545"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0623"
                           xFract="0.00738152"
                           y3="2.12528"
                           yFract="0.25181043"
                           z3="6.33207"
                           zFract="0.28497165"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97161"
                           xFract="0.23360308"
                           y3="0.01218"
                           yFract="0.00144313"
                           z3="6.41838"
                           zFract="0.28885599"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.06784"
                           xFract="0.00803791"
                           y3="-0.03947"
                           yFract="-0.00467654"
                           z3="4.29898"
                           zFract="0.19347345"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10491"
                           xFract="0.01243009"
                           y3="0.07241"
                           yFract="0.00857938"
                           z3="8.44098"
                           zFract="0.37988209"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19035"
                           xFract="0.25952014"
                           y3="2.15561"
                           yFract="0.25540403"
                           z3="4.25825"
                           zFract="0.19164041"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31495"
                           xFract="0.27428318"
                           y3="1.95395"
                           yFract="0.23151066"
                           z3="8.83403"
                           zFract="0.39757111"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14723"
                           xFract="0.49137796"
                           y3="2.1497"
                           yFract="0.25470379"
                           z3="6.41518"
                           zFract="0.28871197"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48505"
                           xFract="0.76837085"
                           y3="0.07016"
                           yFract="0.0083128"
                           z3="6.45682"
                           zFract="0.29058596"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13482"
                           xFract="0.48990758"
                           y3="-0.00912"
                           yFract="-0.00108057"
                           z3="4.29963"
                           zFract="0.1935027"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12213"
                           xFract="0.48840403"
                           y3="-0.11165"
                           yFract="-0.01322867"
                           z3="8.46174"
                           zFract="0.38081638"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2596"
                           xFract="0.74165877"
                           y3="2.02356"
                           yFract="0.23975829"
                           z3="4.17262"
                           zFract="0.18778668"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20231"
                           xFract="0.73487085"
                           y3="2.0808"
                           yFract="0.24654028"
                           z3="9.08751"
                           zFract="0.40897885"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00206"
                           xFract="-0.00024408"
                           y3="6.32333"
                           yFract="0.74920972"
                           z3="6.3790"
                           zFract="0.28708371"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10343"
                           xFract="0.24922156"
                           y3="4.20644"
                           yFract="0.49839336"
                           z3="6.30451"
                           zFract="0.28373132"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13912"
                           xFract="-0.01648341"
                           y3="4.27814"
                           yFract="0.50688863"
                           z3="4.35008"
                           zFract="0.19577318"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03569"
                           xFract="0.00422867"
                           y3="4.2152"
                           yFract="0.49943128"
                           z3="8.50989"
                           zFract="0.38298335"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10605"
                           xFract="0.24953199"
                           y3="6.26957"
                           yFract="0.74284005"
                           z3="4.21383"
                           zFract="0.18964131"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03872"
                           xFract="0.2415545"
                           y3="6.40912"
                           yFract="0.75937441"
                           z3="8.48001"
                           zFract="0.38163861"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21499"
                           xFract="0.4994064"
                           y3="6.27777"
                           yFract="0.74381161"
                           z3="6.3254"
                           zFract="0.28467147"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31172"
                           xFract="0.74783412"
                           y3="4.17321"
                           yFract="0.49445616"
                           z3="6.54814"
                           zFract="0.29469577"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33624"
                           xFract="0.51377251"
                           y3="4.22025"
                           yFract="0.50002962"
                           z3="4.25292"
                           zFract="0.19140054"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14224"
                           xFract="0.49078673"
                           y3="4.2911"
                           yFract="0.50842417"
                           z3="8.54795"
                           zFract="0.38469622"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32235"
                           xFract="0.7490936"
                           y3="6.41788"
                           yFract="0.76041232"
                           z3="4.22418"
                           zFract="0.19010711"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38609"
                           xFract="0.75664573"
                           y3="6.37077"
                           yFract="0.75483057"
                           z3="8.58103"
                           zFract="0.38618497"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.86">
                  <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="H"
                           id="a1"
                           x3="2.05483"
                           xFract="0.24346327"
                           y3="2.0681"
                           yFract="0.24503555"
                           z3="9.77037"
                           zFract="0.43971062"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33603"
                           xFract="0.75071445"
                           y3="4.17005"
                           yFract="0.49408175"
                           z3="8.5825"
                           zFract="0.38625113"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12369"
                           xFract="0.25162204"
                           y3="-0.07381"
                           yFract="-0.00874526"
                           z3="8.52693"
                           zFract="0.38375023"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01732"
                           xFract="0.00205213"
                           y3="0.02583"
                           yFract="0.00306043"
                           z3="6.40916"
                           zFract="0.28844104"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10263"
                           xFract="0.24912678"
                           y3="6.31205"
                           yFract="0.74787322"
                           z3="6.37013"
                           zFract="0.28668452"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09501"
                           xFract="0.24822393"
                           y3="2.11654"
                           yFract="0.25077488"
                           z3="6.31361"
                           zFract="0.28414086"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21212"
                           xFract="0.49906635"
                           y3="6.32134"
                           yFract="0.74897393"
                           z3="4.26735"
                           zFract="0.19204995"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23203"
                           xFract="0.50142536"
                           y3="2.10726"
                           yFract="0.24967536"
                           z3="4.24028"
                           zFract="0.19083168"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.1902"
                           xFract="0.49646919"
                           y3="4.22019"
                           yFract="0.50002251"
                           z3="6.41868"
                           zFract="0.28886949"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00677"
                           xFract="0.00080213"
                           y3="4.20494"
                           yFract="0.49821564"
                           z3="6.40496"
                           zFract="0.28825203"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00465"
                           xFract="-0.00055095"
                           y3="6.3313"
                           yFract="0.75015403"
                           z3="4.28394"
                           zFract="0.19279658"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01625"
                           xFract="-0.00192536"
                           y3="6.34384"
                           yFract="0.75163981"
                           z3="8.43165"
                           zFract="0.3794622"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20574"
                           xFract="0.49831043"
                           y3="-0.00834"
                           yFract="-0.00098815"
                           z3="6.39509"
                           zFract="0.28780783"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.0048"
                           xFract="-0.00056872"
                           y3="2.1359"
                           yFract="0.25306872"
                           z3="4.24745"
                           zFract="0.19115437"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.23656"
                           xFract="-0.02802844"
                           y3="2.15956"
                           yFract="0.25587204"
                           z3="8.44139"
                           zFract="0.37990054"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08722"
                           xFract="0.24730095"
                           y3="4.19902"
                           yFract="0.49751422"
                           z3="4.22708"
                           zFract="0.19023762"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33441"
                           xFract="0.75052251"
                           y3="0.02189"
                           yFract="0.0025936"
                           z3="4.23712"
                           zFract="0.19068947"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07493"
                           xFract="0.24584479"
                           y3="4.32935"
                           yFract="0.51295616"
                           z3="8.5938"
                           zFract="0.38675968"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33535"
                           xFract="0.75063389"
                           y3="2.12184"
                           yFract="0.25140284"
                           z3="6.38773"
                           zFract="0.2874766"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.0944"
                           xFract="0.24815166"
                           y3="0.00761"
                           yFract="0.00090166"
                           z3="4.23441"
                           zFract="0.19056751"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25681"
                           xFract="0.50436137"
                           y3="6.30044"
                           yFract="0.74649763"
                           z3="8.49561"
                           zFract="0.38234068"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31306"
                           xFract="0.74799289"
                           y3="6.36284"
                           yFract="0.753891"
                           z3="6.39344"
                           zFract="0.28773357"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3311"
                           xFract="0.75013033"
                           y3="4.1787"
                           yFract="0.49510664"
                           z3="4.27647"
                           zFract="0.1924604"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31185"
                           xFract="0.74784953"
                           y3="0.06622"
                           yFract="0.00784597"
                           z3="8.58385"
                           zFract="0.38631188"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.3308"
                           xFract="0.51312796"
                           y3="2.16253"
                           yFract="0.25622393"
                           z3="8.53397"
                           zFract="0.38406706"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06214"
                           xFract="0.00736256"
                           y3="2.12507"
                           yFract="0.25178555"
                           z3="6.33241"
                           zFract="0.28498695"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97167"
                           xFract="0.23361019"
                           y3="0.0121"
                           yFract="0.00143365"
                           z3="6.41808"
                           zFract="0.28884248"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.06753"
                           xFract="0.00800118"
                           y3="-0.03941"
                           yFract="-0.00466943"
                           z3="4.29928"
                           zFract="0.19348695"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.1054"
                           xFract="0.01248815"
                           y3="0.07226"
                           yFract="0.00856161"
                           z3="8.44118"
                           zFract="0.37989109"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19019"
                           xFract="0.25950118"
                           y3="2.15539"
                           yFract="0.25537796"
                           z3="4.25893"
                           zFract="0.19167102"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31514"
                           xFract="0.27430569"
                           y3="1.95348"
                           yFract="0.23145498"
                           z3="8.83284"
                           zFract="0.39751755"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14773"
                           xFract="0.4914372"
                           y3="2.14991"
                           yFract="0.25472867"
                           z3="6.41515"
                           zFract="0.28871062"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48537"
                           xFract="0.76840877"
                           y3="0.07019"
                           yFract="0.00831635"
                           z3="6.45747"
                           zFract="0.29061521"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13523"
                           xFract="0.48995616"
                           y3="-0.00899"
                           yFract="-0.00106517"
                           z3="4.30003"
                           zFract="0.1935207"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12201"
                           xFract="0.48838981"
                           y3="-0.11165"
                           yFract="-0.01322867"
                           z3="8.46199"
                           zFract="0.38082763"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25964"
                           xFract="0.74166351"
                           y3="2.02367"
                           yFract="0.23977133"
                           z3="4.17278"
                           zFract="0.18779388"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20183"
                           xFract="0.73481398"
                           y3="2.08082"
                           yFract="0.24654265"
                           z3="9.08877"
                           zFract="0.40903555"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00226"
                           xFract="-0.00026777"
                           y3="6.32354"
                           yFract="0.7492346"
                           z3="6.37919"
                           zFract="0.28709226"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10336"
                           xFract="0.24921327"
                           y3="4.20637"
                           yFract="0.49838507"
                           z3="6.30476"
                           zFract="0.28374257"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13896"
                           xFract="-0.01646445"
                           y3="4.27804"
                           yFract="0.50687678"
                           z3="4.35037"
                           zFract="0.19578623"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03584"
                           xFract="0.00424645"
                           y3="4.21557"
                           yFract="0.49947512"
                           z3="8.51013"
                           zFract="0.38299415"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10604"
                           xFract="0.24953081"
                           y3="6.26975"
                           yFract="0.74286137"
                           z3="4.21387"
                           zFract="0.18964311"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03886"
                           xFract="0.24157109"
                           y3="6.4095"
                           yFract="0.75941943"
                           z3="8.47989"
                           zFract="0.38163321"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2149"
                           xFract="0.49939573"
                           y3="6.27752"
                           yFract="0.74378199"
                           z3="6.3256"
                           zFract="0.28468047"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31184"
                           xFract="0.74784834"
                           y3="4.17307"
                           yFract="0.49443957"
                           z3="6.54837"
                           zFract="0.29470612"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33611"
                           xFract="0.51375711"
                           y3="4.22034"
                           yFract="0.50004028"
                           z3="4.25317"
                           zFract="0.19141179"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14211"
                           xFract="0.49077133"
                           y3="4.29104"
                           yFract="0.50841706"
                           z3="8.54809"
                           zFract="0.38470252"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32236"
                           xFract="0.74909479"
                           y3="6.41795"
                           yFract="0.76042062"
                           z3="4.22426"
                           zFract="0.19011071"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38605"
                           xFract="0.756641"
                           y3="6.37063"
                           yFract="0.75481398"
                           z3="8.58152"
                           zFract="0.38620702"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.87">
                  <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="H"
                           id="a1"
                           x3="2.05224"
                           xFract="0.2431564"
                           y3="2.06948"
                           yFract="0.24519905"
                           z3="9.76946"
                           zFract="0.43966967"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33616"
                           xFract="0.75072986"
                           y3="4.17071"
                           yFract="0.49415995"
                           z3="8.58369"
                           zFract="0.38630468"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12392"
                           xFract="0.25164929"
                           y3="-0.07449"
                           yFract="-0.00882583"
                           z3="8.52804"
                           zFract="0.38380018"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01694"
                           xFract="0.00200711"
                           y3="0.02532"
                           yFract="0.0030"
                           z3="6.40988"
                           zFract="0.28847345"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10242"
                           xFract="0.2491019"
                           y3="6.31217"
                           yFract="0.74788744"
                           z3="6.37069"
                           zFract="0.28670972"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09543"
                           xFract="0.2482737"
                           y3="2.11643"
                           yFract="0.25076185"
                           z3="6.31488"
                           zFract="0.28419802"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21191"
                           xFract="0.49904147"
                           y3="6.32137"
                           yFract="0.74897749"
                           z3="4.2677"
                           zFract="0.19206571"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23169"
                           xFract="0.50138507"
                           y3="2.10738"
                           yFract="0.24968957"
                           z3="4.24052"
                           zFract="0.19084248"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19017"
                           xFract="0.49646564"
                           y3="4.22048"
                           yFract="0.50005687"
                           z3="6.41907"
                           zFract="0.28888704"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00664"
                           xFract="0.00078673"
                           y3="4.20501"
                           yFract="0.49822393"
                           z3="6.40557"
                           zFract="0.28827948"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00448"
                           xFract="-0.00053081"
                           y3="6.33124"
                           yFract="0.75014692"
                           z3="4.28449"
                           zFract="0.19282133"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01583"
                           xFract="-0.00187559"
                           y3="6.34385"
                           yFract="0.751641"
                           z3="8.43253"
                           zFract="0.3795018"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2059"
                           xFract="0.49832938"
                           y3="-0.0087"
                           yFract="-0.00103081"
                           z3="6.39562"
                           zFract="0.28783168"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00434"
                           xFract="-0.00051422"
                           y3="2.13591"
                           yFract="0.25306991"
                           z3="4.24805"
                           zFract="0.19118137"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.23799"
                           xFract="-0.02819787"
                           y3="2.15958"
                           yFract="0.25587441"
                           z3="8.44153"
                           zFract="0.37990684"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.0872"
                           xFract="0.24729858"
                           y3="4.19873"
                           yFract="0.49747986"
                           z3="4.22737"
                           zFract="0.19025068"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33464"
                           xFract="0.75054976"
                           y3="0.02175"
                           yFract="0.00257701"
                           z3="4.23733"
                           zFract="0.19069892"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.0749"
                           xFract="0.24584123"
                           y3="4.33022"
                           yFract="0.51305924"
                           z3="8.59421"
                           zFract="0.38677813"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33524"
                           xFract="0.75062085"
                           y3="2.1215"
                           yFract="0.25136256"
                           z3="6.38802"
                           zFract="0.28748965"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09455"
                           xFract="0.24816943"
                           y3="0.0080"
                           yFract="0.00094787"
                           z3="4.23492"
                           zFract="0.19059046"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25632"
                           xFract="0.50430332"
                           y3="6.30069"
                           yFract="0.74652725"
                           z3="8.49601"
                           zFract="0.38235869"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31256"
                           xFract="0.74793365"
                           y3="6.36307"
                           yFract="0.75391825"
                           z3="6.39386"
                           zFract="0.28775248"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33131"
                           xFract="0.75015521"
                           y3="4.17845"
                           yFract="0.49507701"
                           z3="4.27663"
                           zFract="0.1924676"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31126"
                           xFract="0.74777962"
                           y3="0.06617"
                           yFract="0.00784005"
                           z3="8.58539"
                           zFract="0.38638119"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.33209"
                           xFract="0.51328081"
                           y3="2.16297"
                           yFract="0.25627607"
                           z3="8.53491"
                           zFract="0.38410936"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06184"
                           xFract="0.00732701"
                           y3="2.12464"
                           yFract="0.2517346"
                           z3="6.33307"
                           zFract="0.28501665"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97179"
                           xFract="0.23362441"
                           y3="0.01193"
                           yFract="0.00141351"
                           z3="6.41748"
                           zFract="0.28881548"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.06691"
                           xFract="0.00792773"
                           y3="-0.03927"
                           yFract="-0.00465284"
                           z3="4.29986"
                           zFract="0.19351305"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10636"
                           xFract="0.0126019"
                           y3="0.07198"
                           yFract="0.00852844"
                           z3="8.44156"
                           zFract="0.37990819"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18986"
                           xFract="0.25946209"
                           y3="2.15496"
                           yFract="0.25532701"
                           z3="4.26029"
                           zFract="0.19173222"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31554"
                           xFract="0.27435308"
                           y3="1.95254"
                           yFract="0.2313436"
                           z3="8.83046"
                           zFract="0.39741044"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14872"
                           xFract="0.4915545"
                           y3="2.15031"
                           yFract="0.25477607"
                           z3="6.41511"
                           zFract="0.28870882"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48601"
                           xFract="0.7684846"
                           y3="0.07025"
                           yFract="0.00832346"
                           z3="6.45877"
                           zFract="0.29067372"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13606"
                           xFract="0.4900545"
                           y3="-0.00871"
                           yFract="-0.00103199"
                           z3="4.30082"
                           zFract="0.19355626"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12177"
                           xFract="0.48836137"
                           y3="-0.11163"
                           yFract="-0.0132263"
                           z3="8.46249"
                           zFract="0.38085014"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25971"
                           xFract="0.7416718"
                           y3="2.02389"
                           yFract="0.23979739"
                           z3="4.17312"
                           zFract="0.18780918"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20087"
                           xFract="0.73470024"
                           y3="2.08086"
                           yFract="0.24654739"
                           z3="9.0913"
                           zFract="0.40914941"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00266"
                           xFract="-0.00031517"
                           y3="6.32394"
                           yFract="0.74928199"
                           z3="6.37956"
                           zFract="0.28710891"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.1032"
                           xFract="0.24919431"
                           y3="4.20622"
                           yFract="0.4983673"
                           z3="6.30528"
                           zFract="0.28376598"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13864"
                           xFract="-0.01642654"
                           y3="4.27783"
                           yFract="0.5068519"
                           z3="4.35094"
                           zFract="0.19581188"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03614"
                           xFract="0.00428199"
                           y3="4.21633"
                           yFract="0.49956517"
                           z3="8.5106"
                           zFract="0.3830153"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10601"
                           xFract="0.24952725"
                           y3="6.27011"
                           yFract="0.74290403"
                           z3="4.21394"
                           zFract="0.18964626"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03913"
                           xFract="0.24160308"
                           y3="6.41027"
                           yFract="0.75951066"
                           z3="8.47964"
                           zFract="0.38162196"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21474"
                           xFract="0.49937678"
                           y3="6.27701"
                           yFract="0.74372156"
                           z3="6.32601"
                           zFract="0.28469892"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31207"
                           xFract="0.74787559"
                           y3="4.17278"
                           yFract="0.49440521"
                           z3="6.54884"
                           zFract="0.29472727"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33586"
                           xFract="0.51372749"
                           y3="4.22052"
                           yFract="0.50006161"
                           z3="4.25367"
                           zFract="0.19143429"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14184"
                           xFract="0.49073934"
                           y3="4.29094"
                           yFract="0.50840521"
                           z3="8.54838"
                           zFract="0.38471557"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32238"
                           xFract="0.74909716"
                           y3="6.4181"
                           yFract="0.76043839"
                           z3="4.22443"
                           zFract="0.19011836"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38597"
                           xFract="0.75663152"
                           y3="6.37034"
                           yFract="0.75477962"
                           z3="8.58251"
                           zFract="0.38625158"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.88">
                  <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="H"
                           id="a1"
                           x3="2.05344"
                           xFract="0.24329858"
                           y3="2.06884"
                           yFract="0.24512322"
                           z3="9.76988"
                           zFract="0.43968857"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3361"
                           xFract="0.75072275"
                           y3="4.1704"
                           yFract="0.49412322"
                           z3="8.58314"
                           zFract="0.38627993"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12382"
                           xFract="0.25163744"
                           y3="-0.07417"
                           yFract="-0.00878791"
                           z3="8.52752"
                           zFract="0.38377678"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01711"
                           xFract="0.00202725"
                           y3="0.02556"
                           yFract="0.00302844"
                           z3="6.40954"
                           zFract="0.28845815"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10251"
                           xFract="0.24911256"
                           y3="6.31212"
                           yFract="0.74788152"
                           z3="6.37043"
                           zFract="0.28669802"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09523"
                           xFract="0.24825"
                           y3="2.11648"
                           yFract="0.25076777"
                           z3="6.31429"
                           zFract="0.28417147"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21201"
                           xFract="0.49905332"
                           y3="6.32136"
                           yFract="0.7489763"
                           z3="4.26753"
                           zFract="0.19205806"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23185"
                           xFract="0.50140403"
                           y3="2.10732"
                           yFract="0.24968246"
                           z3="4.24041"
                           zFract="0.19083753"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19018"
                           xFract="0.49646682"
                           y3="4.22035"
                           yFract="0.50004147"
                           z3="6.41889"
                           zFract="0.28887894"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0067"
                           xFract="0.00079384"
                           y3="4.20497"
                           yFract="0.49821919"
                           z3="6.40529"
                           zFract="0.28826688"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00456"
                           xFract="-0.00054028"
                           y3="6.33127"
                           yFract="0.75015047"
                           z3="4.28423"
                           zFract="0.19280963"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01603"
                           xFract="-0.00189929"
                           y3="6.34385"
                           yFract="0.751641"
                           z3="8.43213"
                           zFract="0.3794838"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20582"
                           xFract="0.49831991"
                           y3="-0.00853"
                           yFract="-0.00101066"
                           z3="6.39537"
                           zFract="0.28782043"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00455"
                           xFract="-0.0005391"
                           y3="2.1359"
                           yFract="0.25306872"
                           z3="4.24777"
                           zFract="0.19116877"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.23733"
                           xFract="-0.02811967"
                           y3="2.15957"
                           yFract="0.25587322"
                           z3="8.44147"
                           zFract="0.37990414"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08721"
                           xFract="0.24729976"
                           y3="4.19886"
                           yFract="0.49749526"
                           z3="4.22723"
                           zFract="0.19024437"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33453"
                           xFract="0.75053673"
                           y3="0.02182"
                           yFract="0.00258531"
                           z3="4.23724"
                           zFract="0.19069487"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07491"
                           xFract="0.24584242"
                           y3="4.32982"
                           yFract="0.51301185"
                           z3="8.59402"
                           zFract="0.38676958"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33529"
                           xFract="0.75062678"
                           y3="2.12166"
                           yFract="0.25138152"
                           z3="6.38789"
                           zFract="0.2874838"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09448"
                           xFract="0.24816114"
                           y3="0.00782"
                           yFract="0.00092654"
                           z3="4.23468"
                           zFract="0.19057966"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25655"
                           xFract="0.50433057"
                           y3="6.30057"
                           yFract="0.74651303"
                           z3="8.49583"
                           zFract="0.38235059"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31279"
                           xFract="0.7479609"
                           y3="6.36296"
                           yFract="0.75390521"
                           z3="6.39366"
                           zFract="0.28774347"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33121"
                           xFract="0.75014336"
                           y3="4.17857"
                           yFract="0.49509123"
                           z3="4.27656"
                           zFract="0.19246445"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31153"
                           xFract="0.74781161"
                           y3="0.06619"
                           yFract="0.00784242"
                           z3="8.58467"
                           zFract="0.38634878"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.33149"
                           xFract="0.51320972"
                           y3="2.16277"
                           yFract="0.25625237"
                           z3="8.53447"
                           zFract="0.38408956"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06198"
                           xFract="0.0073436"
                           y3="2.12484"
                           yFract="0.25175829"
                           z3="6.33276"
                           zFract="0.2850027"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97173"
                           xFract="0.2336173"
                           y3="0.01201"
                           yFract="0.00142299"
                           z3="6.41776"
                           zFract="0.28882808"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0672"
                           xFract="0.00796209"
                           y3="-0.03933"
                           yFract="-0.00465995"
                           z3="4.29959"
                           zFract="0.1935009"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10592"
                           xFract="0.01254976"
                           y3="0.07211"
                           yFract="0.00854384"
                           z3="8.44138"
                           zFract="0.37990009"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19001"
                           xFract="0.25947986"
                           y3="2.15516"
                           yFract="0.25535071"
                           z3="4.25966"
                           zFract="0.19170387"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31536"
                           xFract="0.27433175"
                           y3="1.95298"
                           yFract="0.23139573"
                           z3="8.83156"
                           zFract="0.39745995"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14826"
                           xFract="0.4915"
                           y3="2.15012"
                           yFract="0.25475355"
                           z3="6.41513"
                           zFract="0.28870972"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48572"
                           xFract="0.76845024"
                           y3="0.07022"
                           yFract="0.00831991"
                           z3="6.45817"
                           zFract="0.29064671"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13568"
                           xFract="0.49000948"
                           y3="-0.00884"
                           yFract="-0.00104739"
                           z3="4.30045"
                           zFract="0.1935396"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12188"
                           xFract="0.48837441"
                           y3="-0.11164"
                           yFract="-0.01322749"
                           z3="8.46225"
                           zFract="0.38083933"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25967"
                           xFract="0.74166706"
                           y3="2.02379"
                           yFract="0.23978555"
                           z3="4.17296"
                           zFract="0.18780198"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20131"
                           xFract="0.73475237"
                           y3="2.08084"
                           yFract="0.24654502"
                           z3="9.09013"
                           zFract="0.40909676"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00247"
                           xFract="-0.00029265"
                           y3="6.32375"
                           yFract="0.74925948"
                           z3="6.37939"
                           zFract="0.28710126"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10328"
                           xFract="0.24920379"
                           y3="4.20629"
                           yFract="0.49837559"
                           z3="6.30504"
                           zFract="0.28375518"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13879"
                           xFract="-0.01644431"
                           y3="4.27793"
                           yFract="0.50686374"
                           z3="4.35068"
                           zFract="0.19580018"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0360"
                           xFract="0.0042654"
                           y3="4.21598"
                           yFract="0.4995237"
                           z3="8.51038"
                           zFract="0.3830054"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10602"
                           xFract="0.24952844"
                           y3="6.26995"
                           yFract="0.74288507"
                           z3="4.21391"
                           zFract="0.18964491"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0390"
                           xFract="0.24158768"
                           y3="6.40992"
                           yFract="0.75946919"
                           z3="8.47975"
                           zFract="0.38162691"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21481"
                           xFract="0.49938507"
                           y3="6.27724"
                           yFract="0.74374882"
                           z3="6.32582"
                           zFract="0.28469037"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31196"
                           xFract="0.74786256"
                           y3="4.17291"
                           yFract="0.49442062"
                           z3="6.54862"
                           zFract="0.29471737"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33598"
                           xFract="0.51374171"
                           y3="4.22044"
                           yFract="0.50005213"
                           z3="4.25344"
                           zFract="0.19142394"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14197"
                           xFract="0.49075474"
                           y3="4.29099"
                           yFract="0.50841114"
                           z3="8.54824"
                           zFract="0.38470927"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32237"
                           xFract="0.74909597"
                           y3="6.41803"
                           yFract="0.76043009"
                           z3="4.22435"
                           zFract="0.19011476"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38601"
                           xFract="0.75663626"
                           y3="6.37047"
                           yFract="0.75479502"
                           z3="8.58206"
                           zFract="0.38623132"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.89">
                  <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="H"
                           id="a1"
                           x3="2.05257"
                           xFract="0.2431955"
                           y3="2.06932"
                           yFract="0.24518009"
                           z3="9.76886"
                           zFract="0.43964266"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33616"
                           xFract="0.75072986"
                           y3="4.17066"
                           yFract="0.49415403"
                           z3="8.58357"
                           zFract="0.38629928"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12394"
                           xFract="0.25165166"
                           y3="-0.07458"
                           yFract="-0.00883649"
                           z3="8.52791"
                           zFract="0.38379433"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01697"
                           xFract="0.00201066"
                           y3="0.02538"
                           yFract="0.00300711"
                           z3="6.40981"
                           zFract="0.2884703"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10242"
                           xFract="0.2491019"
                           y3="6.31215"
                           yFract="0.74788507"
                           z3="6.37064"
                           zFract="0.28670747"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09536"
                           xFract="0.2482654"
                           y3="2.11646"
                           yFract="0.2507654"
                           z3="6.3148"
                           zFract="0.28419442"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21195"
                           xFract="0.49904621"
                           y3="6.32138"
                           yFract="0.74897867"
                           z3="4.2677"
                           zFract="0.19206571"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23174"
                           xFract="0.501391"
                           y3="2.10739"
                           yFract="0.24969076"
                           z3="4.2405"
                           zFract="0.19084158"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19018"
                           xFract="0.49646682"
                           y3="4.22046"
                           yFract="0.5000545"
                           z3="6.41903"
                           zFract="0.28888524"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00665"
                           xFract="0.00078791"
                           y3="4.20498"
                           yFract="0.49822038"
                           z3="6.40552"
                           zFract="0.28827723"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00452"
                           xFract="-0.00053555"
                           y3="6.33125"
                           yFract="0.7501481"
                           z3="4.28444"
                           zFract="0.19281908"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01585"
                           xFract="-0.00187796"
                           y3="6.34386"
                           yFract="0.75164218"
                           z3="8.43243"
                           zFract="0.3794973"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20587"
                           xFract="0.49832583"
                           y3="-0.00866"
                           yFract="-0.00102607"
                           z3="6.39562"
                           zFract="0.28783168"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00438"
                           xFract="-0.00051896"
                           y3="2.13589"
                           yFract="0.25306754"
                           z3="4.24798"
                           zFract="0.19117822"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.23791"
                           xFract="-0.02818839"
                           y3="2.1596"
                           yFract="0.25587678"
                           z3="8.44156"
                           zFract="0.37990819"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.0872"
                           xFract="0.24729858"
                           y3="4.19875"
                           yFract="0.49748223"
                           z3="4.22737"
                           zFract="0.19025068"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33463"
                           xFract="0.75054858"
                           y3="0.02174"
                           yFract="0.00257583"
                           z3="4.23731"
                           zFract="0.19069802"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.0749"
                           xFract="0.24584123"
                           y3="4.33016"
                           yFract="0.51305213"
                           z3="8.59419"
                           zFract="0.38677723"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33527"
                           xFract="0.75062441"
                           y3="2.12154"
                           yFract="0.2513673"
                           z3="6.38799"
                           zFract="0.2874883"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09452"
                           xFract="0.24816588"
                           y3="0.00797"
                           yFract="0.00094431"
                           z3="4.23488"
                           zFract="0.19058866"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25635"
                           xFract="0.50430687"
                           y3="6.30066"
                           yFract="0.7465237"
                           z3="8.4960"
                           zFract="0.38235824"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31262"
                           xFract="0.74794076"
                           y3="6.36304"
                           yFract="0.75391469"
                           z3="6.39381"
                           zFract="0.28775023"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33128"
                           xFract="0.75015166"
                           y3="4.17846"
                           yFract="0.4950782"
                           z3="4.27664"
                           zFract="0.19246805"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31129"
                           xFract="0.74778318"
                           y3="0.06618"
                           yFract="0.00784123"
                           z3="8.58525"
                           zFract="0.38637489"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.33206"
                           xFract="0.51327725"
                           y3="2.16297"
                           yFract="0.25627607"
                           z3="8.53481"
                           zFract="0.38410486"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06187"
                           xFract="0.00733057"
                           y3="2.1247"
                           yFract="0.25174171"
                           z3="6.33301"
                           zFract="0.28501395"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97181"
                           xFract="0.23362678"
                           y3="0.01194"
                           yFract="0.00141469"
                           z3="6.41754"
                           zFract="0.28881818"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.06699"
                           xFract="0.0079372"
                           y3="-0.03928"
                           yFract="-0.00465403"
                           z3="4.29978"
                           zFract="0.19350945"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.1063"
                           xFract="0.01259479"
                           y3="0.07199"
                           yFract="0.00852962"
                           z3="8.4416"
                           zFract="0.37990999"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18992"
                           xFract="0.25946919"
                           y3="2.15501"
                           yFract="0.25533294"
                           z3="4.26017"
                           zFract="0.19172682"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31527"
                           xFract="0.27432109"
                           y3="1.9527"
                           yFract="0.23136256"
                           z3="8.83127"
                           zFract="0.39744689"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14864"
                           xFract="0.49154502"
                           y3="2.15023"
                           yFract="0.25476659"
                           z3="6.41514"
                           zFract="0.28871017"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48596"
                           xFract="0.76847867"
                           y3="0.07019"
                           yFract="0.00831635"
                           z3="6.4587"
                           zFract="0.29067057"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13597"
                           xFract="0.49004384"
                           y3="-0.00875"
                           yFract="-0.00103673"
                           z3="4.30075"
                           zFract="0.19355311"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12176"
                           xFract="0.48836019"
                           y3="-0.1116"
                           yFract="-0.01322275"
                           z3="8.46249"
                           zFract="0.38085014"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25965"
                           xFract="0.74166469"
                           y3="2.02389"
                           yFract="0.23979739"
                           z3="4.17305"
                           zFract="0.18780603"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20094"
                           xFract="0.73470853"
                           y3="2.08081"
                           yFract="0.24654147"
                           z3="9.09106"
                           zFract="0.40913861"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00262"
                           xFract="-0.00031043"
                           y3="6.32392"
                           yFract="0.74927962"
                           z3="6.37956"
                           zFract="0.28710891"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10322"
                           xFract="0.24919668"
                           y3="4.20621"
                           yFract="0.49836611"
                           z3="6.30522"
                           zFract="0.28376328"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13869"
                           xFract="-0.01643246"
                           y3="4.27785"
                           yFract="0.50685427"
                           z3="4.35091"
                           zFract="0.19581053"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0361"
                           xFract="0.00427725"
                           y3="4.21624"
                           yFract="0.4995545"
                           z3="8.51059"
                           zFract="0.38301485"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1060"
                           xFract="0.24952607"
                           y3="6.27008"
                           yFract="0.74290047"
                           z3="4.21393"
                           zFract="0.18964581"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03911"
                           xFract="0.24160071"
                           y3="6.41031"
                           yFract="0.7595154"
                           z3="8.47968"
                           zFract="0.38162376"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21474"
                           xFract="0.49937678"
                           y3="6.27709"
                           yFract="0.74373104"
                           z3="6.32597"
                           zFract="0.28469712"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31208"
                           xFract="0.74787678"
                           y3="4.17284"
                           yFract="0.49441232"
                           z3="6.54884"
                           zFract="0.29472727"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33591"
                           xFract="0.51373341"
                           y3="4.22051"
                           yFract="0.50006043"
                           z3="4.25361"
                           zFract="0.19143159"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14189"
                           xFract="0.49074526"
                           y3="4.29091"
                           yFract="0.50840166"
                           z3="8.54837"
                           zFract="0.38471512"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32237"
                           xFract="0.74909597"
                           y3="6.41809"
                           yFract="0.7604372"
                           z3="4.22444"
                           zFract="0.19011881"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38596"
                           xFract="0.75663033"
                           y3="6.37038"
                           yFract="0.75478436"
                           z3="8.58245"
                           zFract="0.38624887"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.90">
                  <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="H"
                           id="a1"
                           x3="2.04994"
                           xFract="0.24288389"
                           y3="2.07077"
                           yFract="0.2453519"
                           z3="9.76578"
                           zFract="0.43950405"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33635"
                           xFract="0.75075237"
                           y3="4.17142"
                           yFract="0.49424408"
                           z3="8.58488"
                           zFract="0.38635824"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1243"
                           xFract="0.25169431"
                           y3="-0.07581"
                           yFract="-0.00898223"
                           z3="8.52905"
                           zFract="0.38384563"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01652"
                           xFract="0.00195735"
                           y3="0.02486"
                           yFract="0.0029455"
                           z3="6.41062"
                           zFract="0.28850675"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10214"
                           xFract="0.24906872"
                           y3="6.31227"
                           yFract="0.74789929"
                           z3="6.37128"
                           zFract="0.28673627"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09576"
                           xFract="0.2483128"
                           y3="2.11638"
                           yFract="0.25075592"
                           z3="6.31633"
                           zFract="0.28426328"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21177"
                           xFract="0.49902488"
                           y3="6.32144"
                           yFract="0.74898578"
                           z3="4.26819"
                           zFract="0.19208776"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23139"
                           xFract="0.50134953"
                           y3="2.10759"
                           yFract="0.24971445"
                           z3="4.24079"
                           zFract="0.19085464"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19018"
                           xFract="0.49646682"
                           y3="4.22079"
                           yFract="0.5000936"
                           z3="6.41944"
                           zFract="0.28890369"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00649"
                           xFract="0.00076896"
                           y3="4.20499"
                           yFract="0.49822156"
                           z3="6.4062"
                           zFract="0.28830783"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00442"
                           xFract="-0.0005237"
                           y3="6.33119"
                           yFract="0.750141"
                           z3="4.28508"
                           zFract="0.19284788"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01531"
                           xFract="-0.00181398"
                           y3="6.3439"
                           yFract="0.75164692"
                           z3="8.43333"
                           zFract="0.3795378"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20602"
                           xFract="0.4983436"
                           y3="-0.00904"
                           yFract="-0.00107109"
                           z3="6.39638"
                           zFract="0.28786589"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00386"
                           xFract="-0.00045735"
                           y3="2.13585"
                           yFract="0.2530628"
                           z3="4.24862"
                           zFract="0.19120702"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.23966"
                           xFract="-0.02839573"
                           y3="2.15967"
                           yFract="0.25588507"
                           z3="8.44185"
                           zFract="0.37992124"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08716"
                           xFract="0.24729384"
                           y3="4.19842"
                           yFract="0.49744313"
                           z3="4.22778"
                           zFract="0.19026913"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33495"
                           xFract="0.75058649"
                           y3="0.02149"
                           yFract="0.00254621"
                           z3="4.23754"
                           zFract="0.19070837"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07487"
                           xFract="0.24583768"
                           y3="4.33121"
                           yFract="0.51317654"
                           z3="8.59472"
                           zFract="0.38680108"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33521"
                           xFract="0.7506173"
                           y3="2.12117"
                           yFract="0.25132346"
                           z3="6.38829"
                           zFract="0.2875018"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09467"
                           xFract="0.24818365"
                           y3="0.00843"
                           yFract="0.00099882"
                           z3="4.23547"
                           zFract="0.19061521"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25574"
                           xFract="0.5042346"
                           y3="6.30092"
                           yFract="0.7465545"
                           z3="8.49654"
                           zFract="0.38238254"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31211"
                           xFract="0.74788033"
                           y3="6.36327"
                           yFract="0.75394194"
                           z3="6.39424"
                           zFract="0.28776958"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33148"
                           xFract="0.75017536"
                           y3="4.17815"
                           yFract="0.49504147"
                           z3="4.27686"
                           zFract="0.19247795"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31056"
                           xFract="0.74769668"
                           y3="0.06615"
                           yFract="0.00783768"
                           z3="8.58698"
                           zFract="0.38645275"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.33375"
                           xFract="0.51347749"
                           y3="2.16356"
                           yFract="0.25634597"
                           z3="8.53582"
                           zFract="0.38415032"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06155"
                           xFract="0.00729265"
                           y3="2.12426"
                           yFract="0.25168957"
                           z3="6.33374"
                           zFract="0.2850468"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97202"
                           xFract="0.23365166"
                           y3="0.01173"
                           yFract="0.00138981"
                           z3="6.41691"
                           zFract="0.28878983"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.06636"
                           xFract="0.00786256"
                           y3="-0.03914"
                           yFract="-0.00463744"
                           z3="4.30036"
                           zFract="0.19353555"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10744"
                           xFract="0.01272986"
                           y3="0.07164"
                           yFract="0.00848815"
                           z3="8.44225"
                           zFract="0.37993924"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18963"
                           xFract="0.25943483"
                           y3="2.15456"
                           yFract="0.25527962"
                           z3="4.26169"
                           zFract="0.19179523"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31501"
                           xFract="0.27429028"
                           y3="1.95187"
                           yFract="0.23126422"
                           z3="8.8304"
                           zFract="0.39740774"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.14978"
                           xFract="0.49168009"
                           y3="2.15057"
                           yFract="0.25480687"
                           z3="6.41517"
                           zFract="0.28871152"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48669"
                           xFract="0.76856517"
                           y3="0.07011"
                           yFract="0.00830687"
                           z3="6.46029"
                           zFract="0.29074212"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13685"
                           xFract="0.4901481"
                           y3="-0.00848"
                           yFract="-0.00100474"
                           z3="4.30163"
                           zFract="0.19359271"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12141"
                           xFract="0.48831872"
                           y3="-0.11148"
                           yFract="-0.01320853"
                           z3="8.4632"
                           zFract="0.38088209"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25959"
                           xFract="0.74165758"
                           y3="2.0242"
                           yFract="0.23983412"
                           z3="4.17332"
                           zFract="0.18781818"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.19981"
                           xFract="0.73457464"
                           y3="2.08073"
                           yFract="0.24653199"
                           z3="9.09386"
                           zFract="0.40926463"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00307"
                           xFract="-0.00036374"
                           y3="6.32442"
                           yFract="0.74933886"
                           z3="6.38005"
                           zFract="0.28713096"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10304"
                           xFract="0.24917536"
                           y3="4.20597"
                           yFract="0.49833768"
                           z3="6.30576"
                           zFract="0.28378758"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.1384"
                           xFract="-0.0163981"
                           y3="4.27761"
                           yFract="0.50682583"
                           z3="4.35162"
                           zFract="0.19584248"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0364"
                           xFract="0.0043128"
                           y3="4.21704"
                           yFract="0.49964929"
                           z3="8.5112"
                           zFract="0.3830423"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10594"
                           xFract="0.24951896"
                           y3="6.27049"
                           yFract="0.74294905"
                           z3="4.21399"
                           zFract="0.18964851"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03943"
                           xFract="0.24163863"
                           y3="6.4115"
                           yFract="0.7596564"
                           z3="8.47947"
                           zFract="0.38161431"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21453"
                           xFract="0.4993519"
                           y3="6.27665"
                           yFract="0.74367891"
                           z3="6.32641"
                           zFract="0.28471692"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31243"
                           xFract="0.74791825"
                           y3="4.17261"
                           yFract="0.49438507"
                           z3="6.54949"
                           zFract="0.29475653"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33572"
                           xFract="0.5137109"
                           y3="4.22072"
                           yFract="0.50008531"
                           z3="4.25413"
                           zFract="0.191455"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14165"
                           xFract="0.49071682"
                           y3="4.2907"
                           yFract="0.50837678"
                           z3="8.54875"
                           zFract="0.38473222"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32237"
                           xFract="0.74909597"
                           y3="6.41826"
                           yFract="0.76045735"
                           z3="4.22471"
                           zFract="0.19013096"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38583"
                           xFract="0.75661493"
                           y3="6.37011"
                           yFract="0.75475237"
                           z3="8.58364"
                           zFract="0.38630243"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.91">
                  <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="H"
                           id="a1"
                           x3="2.04469"
                           xFract="0.24226185"
                           y3="2.07366"
                           yFract="0.24569431"
                           z3="9.75962"
                           zFract="0.43922682"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33671"
                           xFract="0.75079502"
                           y3="4.17294"
                           yFract="0.49442417"
                           z3="8.58749"
                           zFract="0.3864757"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12502"
                           xFract="0.25177962"
                           y3="-0.07827"
                           yFract="-0.0092737"
                           z3="8.53133"
                           zFract="0.38394824"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01564"
                           xFract="0.00185308"
                           y3="0.02381"
                           yFract="0.00282109"
                           z3="6.41222"
                           zFract="0.28857876"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10158"
                           xFract="0.24900237"
                           y3="6.3125"
                           yFract="0.74792654"
                           z3="6.37255"
                           zFract="0.28679343"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09656"
                           xFract="0.24840758"
                           y3="2.11624"
                           yFract="0.25073934"
                           z3="6.31938"
                           zFract="0.28440054"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2114"
                           xFract="0.49898104"
                           y3="6.32156"
                           yFract="0.7490"
                           z3="4.26917"
                           zFract="0.19213186"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23071"
                           xFract="0.50126896"
                           y3="2.10799"
                           yFract="0.24976185"
                           z3="4.24136"
                           zFract="0.19088029"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19017"
                           xFract="0.49646564"
                           y3="4.22145"
                           yFract="0.5001718"
                           z3="6.42026"
                           zFract="0.28894059"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00617"
                           xFract="0.00073104"
                           y3="4.20503"
                           yFract="0.4982263"
                           z3="6.40758"
                           zFract="0.28836994"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00421"
                           xFract="-0.00049882"
                           y3="6.33108"
                           yFract="0.75012796"
                           z3="4.28634"
                           zFract="0.19290459"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01424"
                           xFract="-0.0016872"
                           y3="6.34399"
                           yFract="0.75165758"
                           z3="8.43514"
                           zFract="0.37961926"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20631"
                           xFract="0.49837796"
                           y3="-0.00979"
                           yFract="-0.00115995"
                           z3="6.39789"
                           zFract="0.28793384"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00281"
                           xFract="-0.00033294"
                           y3="2.13576"
                           yFract="0.25305213"
                           z3="4.24991"
                           zFract="0.19126508"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.24315"
                           xFract="-0.02880924"
                           y3="2.15983"
                           yFract="0.25590403"
                           z3="8.44241"
                           zFract="0.37994644"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.0871"
                           xFract="0.24728673"
                           y3="4.19775"
                           yFract="0.49736374"
                           z3="4.2286"
                           zFract="0.19030603"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33557"
                           xFract="0.75065995"
                           y3="0.0210"
                           yFract="0.00248815"
                           z3="4.23799"
                           zFract="0.19072862"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.0748"
                           xFract="0.24582938"
                           y3="4.3333"
                           yFract="0.51342417"
                           z3="8.59576"
                           zFract="0.38684788"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.3351"
                           xFract="0.75060427"
                           y3="2.12043"
                           yFract="0.25123578"
                           z3="6.3889"
                           zFract="0.28752925"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09495"
                           xFract="0.24821682"
                           y3="0.00934"
                           yFract="0.00110664"
                           z3="4.23666"
                           zFract="0.19066877"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25454"
                           xFract="0.50409242"
                           y3="6.30144"
                           yFract="0.74661611"
                           z3="8.4976"
                           zFract="0.38243024"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31109"
                           xFract="0.74775948"
                           y3="6.36374"
                           yFract="0.75399763"
                           z3="6.39511"
                           zFract="0.28780873"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33187"
                           xFract="0.75022156"
                           y3="4.17752"
                           yFract="0.49496682"
                           z3="4.27732"
                           zFract="0.19249865"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3091"
                           xFract="0.7475237"
                           y3="0.06608"
                           yFract="0.00782938"
                           z3="8.59044"
                           zFract="0.38660846"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.33713"
                           xFract="0.51387796"
                           y3="2.16476"
                           yFract="0.25648815"
                           z3="8.53783"
                           zFract="0.38424077"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06091"
                           xFract="0.00721682"
                           y3="2.12338"
                           yFract="0.25158531"
                           z3="6.33521"
                           zFract="0.28511296"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97245"
                           xFract="0.23370261"
                           y3="0.01133"
                           yFract="0.00134242"
                           z3="6.41564"
                           zFract="0.28873267"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.06509"
                           xFract="0.00771209"
                           y3="-0.03884"
                           yFract="-0.0046019"
                           z3="4.3015"
                           zFract="0.19358686"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10971"
                           xFract="0.01299882"
                           y3="0.07092"
                           yFract="0.00840284"
                           z3="8.44354"
                           zFract="0.3799973"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18905"
                           xFract="0.25936611"
                           y3="2.15367"
                           yFract="0.25517417"
                           z3="4.26474"
                           zFract="0.19193249"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31448"
                           xFract="0.27422749"
                           y3="1.95021"
                           yFract="0.23106754"
                           z3="8.82866"
                           zFract="0.39732943"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.15206"
                           xFract="0.49195024"
                           y3="2.15124"
                           yFract="0.25488626"
                           z3="6.41522"
                           zFract="0.28871377"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48815"
                           xFract="0.76873815"
                           y3="0.06994"
                           yFract="0.00828673"
                           z3="6.46348"
                           zFract="0.29088569"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13861"
                           xFract="0.49035664"
                           y3="-0.00795"
                           yFract="-0.00094194"
                           z3="4.30339"
                           zFract="0.19367192"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.1207"
                           xFract="0.4882346"
                           y3="-0.11123"
                           yFract="-0.01317891"
                           z3="8.46462"
                           zFract="0.38094599"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25947"
                           xFract="0.74164336"
                           y3="2.02482"
                           yFract="0.23990758"
                           z3="4.17385"
                           zFract="0.18784203"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.19755"
                           xFract="0.73430687"
                           y3="2.08056"
                           yFract="0.24651185"
                           z3="9.09946"
                           zFract="0.40951665"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00398"
                           xFract="-0.00047156"
                           y3="6.32542"
                           yFract="0.74945735"
                           z3="6.38105"
                           zFract="0.28717597"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.1027"
                           xFract="0.24913507"
                           y3="4.20548"
                           yFract="0.49827962"
                           z3="6.30684"
                           zFract="0.28383618"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13783"
                           xFract="-0.01633057"
                           y3="4.27714"
                           yFract="0.50677014"
                           z3="4.35304"
                           zFract="0.19590639"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03698"
                           xFract="0.00438152"
                           y3="4.21863"
                           yFract="0.49983768"
                           z3="8.51244"
                           zFract="0.38309811"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10581"
                           xFract="0.24950355"
                           y3="6.2713"
                           yFract="0.74304502"
                           z3="4.21411"
                           zFract="0.18965392"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04006"
                           xFract="0.24171327"
                           y3="6.41388"
                           yFract="0.75993839"
                           z3="8.47905"
                           zFract="0.38159541"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2141"
                           xFract="0.49930095"
                           y3="6.27576"
                           yFract="0.74357346"
                           z3="6.32731"
                           zFract="0.28475743"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31313"
                           xFract="0.74800118"
                           y3="4.17216"
                           yFract="0.49433175"
                           z3="6.5508"
                           zFract="0.29481548"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33534"
                           xFract="0.51366588"
                           y3="4.22115"
                           yFract="0.50013626"
                           z3="4.25516"
                           zFract="0.19150135"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14117"
                           xFract="0.49065995"
                           y3="4.29027"
                           yFract="0.50832583"
                           z3="8.54951"
                           zFract="0.38476643"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32237"
                           xFract="0.74909597"
                           y3="6.41861"
                           yFract="0.76049882"
                           z3="4.22524"
                           zFract="0.19015482"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38557"
                           xFract="0.75658412"
                           y3="6.36957"
                           yFract="0.75468839"
                           z3="8.58601"
                           zFract="0.38640909"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.92">
                  <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="H"
                           id="a1"
                           x3="2.0454"
                           xFract="0.24234597"
                           y3="2.07327"
                           yFract="0.2456481"
                           z3="9.76045"
                           zFract="0.43926418"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33666"
                           xFract="0.7507891"
                           y3="4.17274"
                           yFract="0.49440047"
                           z3="8.58714"
                           zFract="0.38645995"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12492"
                           xFract="0.25176777"
                           y3="-0.07794"
                           yFract="-0.0092346"
                           z3="8.53102"
                           zFract="0.38393429"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01576"
                           xFract="0.0018673"
                           y3="0.02395"
                           yFract="0.00283768"
                           z3="6.4120"
                           zFract="0.28856886"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10166"
                           xFract="0.24901185"
                           y3="6.31247"
                           yFract="0.74792299"
                           z3="6.37238"
                           zFract="0.28678578"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09646"
                           xFract="0.24839573"
                           y3="2.11626"
                           yFract="0.25074171"
                           z3="6.31897"
                           zFract="0.28438209"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21145"
                           xFract="0.49898697"
                           y3="6.32154"
                           yFract="0.74899763"
                           z3="4.26903"
                           zFract="0.19212556"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2308"
                           xFract="0.50127962"
                           y3="2.10794"
                           yFract="0.24975592"
                           z3="4.24128"
                           zFract="0.19087669"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19018"
                           xFract="0.49646682"
                           y3="4.22136"
                           yFract="0.50016114"
                           z3="6.42015"
                           zFract="0.28893564"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00621"
                           xFract="0.00073578"
                           y3="4.20502"
                           yFract="0.49822512"
                           z3="6.4074"
                           zFract="0.28836184"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00424"
                           xFract="-0.00050237"
                           y3="6.3311"
                           yFract="0.75013033"
                           z3="4.28617"
                           zFract="0.19289694"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01439"
                           xFract="-0.00170498"
                           y3="6.34398"
                           yFract="0.7516564"
                           z3="8.4349"
                           zFract="0.37960846"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20627"
                           xFract="0.49837322"
                           y3="-0.00969"
                           yFract="-0.0011481"
                           z3="6.39768"
                           zFract="0.28792439"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00295"
                           xFract="-0.00034953"
                           y3="2.13577"
                           yFract="0.25305332"
                           z3="4.24973"
                           zFract="0.19125698"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.24268"
                           xFract="-0.02875355"
                           y3="2.15981"
                           yFract="0.25590166"
                           z3="8.44234"
                           zFract="0.37994329"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08711"
                           xFract="0.24728791"
                           y3="4.19784"
                           yFract="0.49737441"
                           z3="4.22849"
                           zFract="0.19030108"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33548"
                           xFract="0.75064929"
                           y3="0.02106"
                           yFract="0.00249526"
                           z3="4.23792"
                           zFract="0.19072547"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07481"
                           xFract="0.24583057"
                           y3="4.33301"
                           yFract="0.51338981"
                           z3="8.59562"
                           zFract="0.38684158"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33511"
                           xFract="0.75060545"
                           y3="2.12053"
                           yFract="0.25124763"
                           z3="6.38882"
                           zFract="0.28752565"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09491"
                           xFract="0.24821209"
                           y3="0.00921"
                           yFract="0.00109123"
                           z3="4.2365"
                           zFract="0.19066157"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2547"
                           xFract="0.50411137"
                           y3="6.30137"
                           yFract="0.74660782"
                           z3="8.49746"
                           zFract="0.38242394"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31123"
                           xFract="0.74777607"
                           y3="6.36368"
                           yFract="0.75399052"
                           z3="6.39499"
                           zFract="0.28780333"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33182"
                           xFract="0.75021564"
                           y3="4.17761"
                           yFract="0.49497749"
                           z3="4.27726"
                           zFract="0.19249595"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3093"
                           xFract="0.74754739"
                           y3="0.06609"
                           yFract="0.00783057"
                           z3="8.58997"
                           zFract="0.38658731"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.33667"
                           xFract="0.51382346"
                           y3="2.1646"
                           yFract="0.25646919"
                           z3="8.53756"
                           zFract="0.38422862"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0610"
                           xFract="0.00722749"
                           y3="2.1235"
                           yFract="0.25159953"
                           z3="6.33501"
                           zFract="0.28510396"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.9724"
                           xFract="0.23369668"
                           y3="0.01138"
                           yFract="0.00134834"
                           z3="6.41582"
                           zFract="0.28874077"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.06526"
                           xFract="0.00773223"
                           y3="-0.03888"
                           yFract="-0.00460664"
                           z3="4.30135"
                           zFract="0.19358011"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.1094"
                           xFract="0.01296209"
                           y3="0.07102"
                           yFract="0.00841469"
                           z3="8.44337"
                           zFract="0.37998965"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18913"
                           xFract="0.25937559"
                           y3="2.15379"
                           yFract="0.25518839"
                           z3="4.26433"
                           zFract="0.19191404"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31455"
                           xFract="0.27423578"
                           y3="1.95043"
                           yFract="0.2310936"
                           z3="8.82889"
                           zFract="0.39733978"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.15175"
                           xFract="0.49191351"
                           y3="2.15115"
                           yFract="0.25487559"
                           z3="6.41521"
                           zFract="0.28871332"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48795"
                           xFract="0.76871445"
                           y3="0.06996"
                           yFract="0.0082891"
                           z3="6.46305"
                           zFract="0.29086634"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13837"
                           xFract="0.4903282"
                           y3="-0.00802"
                           yFract="-0.00095024"
                           z3="4.30315"
                           zFract="0.19366112"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12079"
                           xFract="0.48824526"
                           y3="-0.11127"
                           yFract="-0.01318365"
                           z3="8.46443"
                           zFract="0.38093744"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25949"
                           xFract="0.74164573"
                           y3="2.02474"
                           yFract="0.2398981"
                           z3="4.17378"
                           zFract="0.18783888"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.19786"
                           xFract="0.7343436"
                           y3="2.08058"
                           yFract="0.24651422"
                           z3="9.0987"
                           zFract="0.40948245"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00385"
                           xFract="-0.00045616"
                           y3="6.32529"
                           yFract="0.74944194"
                           z3="6.38092"
                           zFract="0.28717012"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10275"
                           xFract="0.249141"
                           y3="4.20555"
                           yFract="0.49828791"
                           z3="6.30669"
                           zFract="0.28382943"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.1379"
                           xFract="-0.01633886"
                           y3="4.27721"
                           yFract="0.50677844"
                           z3="4.35285"
                           zFract="0.19589784"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0369"
                           xFract="0.00437204"
                           y3="4.21841"
                           yFract="0.49981161"
                           z3="8.51227"
                           zFract="0.38309046"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10583"
                           xFract="0.24950592"
                           y3="6.27119"
                           yFract="0.74303199"
                           z3="4.2141"
                           zFract="0.18965347"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.03998"
                           xFract="0.24170379"
                           y3="6.41355"
                           yFract="0.75989929"
                           z3="8.4791"
                           zFract="0.38159766"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21416"
                           xFract="0.49930806"
                           y3="6.27588"
                           yFract="0.74358768"
                           z3="6.32719"
                           zFract="0.28475203"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31303"
                           xFract="0.74798934"
                           y3="4.17222"
                           yFract="0.49433886"
                           z3="6.55062"
                           zFract="0.29480738"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33539"
                           xFract="0.5136718"
                           y3="4.22109"
                           yFract="0.50012915"
                           z3="4.25502"
                           zFract="0.19149505"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14124"
                           xFract="0.49066825"
                           y3="4.29033"
                           yFract="0.50833294"
                           z3="8.54941"
                           zFract="0.38476193"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32237"
                           xFract="0.74909597"
                           y3="6.41857"
                           yFract="0.76049408"
                           z3="4.22517"
                           zFract="0.19015167"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3856"
                           xFract="0.75658768"
                           y3="6.36964"
                           yFract="0.75469668"
                           z3="8.58569"
                           zFract="0.38639469"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.93">
                  <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="H"
                           id="a1"
                           x3="2.04473"
                           xFract="0.24226659"
                           y3="2.07363"
                           yFract="0.24569076"
                           z3="9.75944"
                           zFract="0.43921872"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33673"
                           xFract="0.75079739"
                           y3="4.17295"
                           yFract="0.49442536"
                           z3="8.58729"
                           zFract="0.3864667"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12497"
                           xFract="0.2517737"
                           y3="-0.07789"
                           yFract="-0.00922867"
                           z3="8.53115"
                           zFract="0.38394014"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01606"
                           xFract="0.00190284"
                           y3="0.0240"
                           yFract="0.0028436"
                           z3="6.41213"
                           zFract="0.28857471"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10161"
                           xFract="0.24900592"
                           y3="6.31244"
                           yFract="0.74791943"
                           z3="6.37234"
                           zFract="0.28678398"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09644"
                           xFract="0.24839336"
                           y3="2.11624"
                           yFract="0.25073934"
                           z3="6.31951"
                           zFract="0.28440639"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21147"
                           xFract="0.49898934"
                           y3="6.32159"
                           yFract="0.74900355"
                           z3="4.26915"
                           zFract="0.19213096"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23087"
                           xFract="0.50128791"
                           y3="2.10803"
                           yFract="0.24976659"
                           z3="4.24138"
                           zFract="0.19088119"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19023"
                           xFract="0.49647275"
                           y3="4.2213"
                           yFract="0.50015403"
                           z3="6.42023"
                           zFract="0.28893924"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00618"
                           xFract="0.00073223"
                           y3="4.20495"
                           yFract="0.49821682"
                           z3="6.40755"
                           zFract="0.28836859"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00429"
                           xFract="-0.00050829"
                           y3="6.3311"
                           yFract="0.75013033"
                           z3="4.28625"
                           zFract="0.19290054"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01444"
                           xFract="-0.0017109"
                           y3="6.34404"
                           yFract="0.75166351"
                           z3="8.43494"
                           zFract="0.37961026"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20625"
                           xFract="0.49837085"
                           y3="-0.00962"
                           yFract="-0.00113981"
                           z3="6.39794"
                           zFract="0.28793609"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00292"
                           xFract="-0.00034597"
                           y3="2.13571"
                           yFract="0.25304621"
                           z3="4.24982"
                           zFract="0.19126103"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.24316"
                           xFract="-0.02881043"
                           y3="2.15983"
                           yFract="0.25590403"
                           z3="8.44248"
                           zFract="0.37994959"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08709"
                           xFract="0.24728555"
                           y3="4.19782"
                           yFract="0.49737204"
                           z3="4.22868"
                           zFract="0.19030963"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33553"
                           xFract="0.75065521"
                           y3="0.02109"
                           yFract="0.00249882"
                           z3="4.23797"
                           zFract="0.19072772"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07484"
                           xFract="0.24583412"
                           y3="4.33313"
                           yFract="0.51340403"
                           z3="8.59574"
                           zFract="0.38684698"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33515"
                           xFract="0.75061019"
                           y3="2.12051"
                           yFract="0.25124526"
                           z3="6.38884"
                           zFract="0.28752655"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09487"
                           xFract="0.24820735"
                           y3="0.00926"
                           yFract="0.00109716"
                           z3="4.23662"
                           zFract="0.19066697"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25469"
                           xFract="0.50411019"
                           y3="6.30125"
                           yFract="0.7465936"
                           z3="8.49763"
                           zFract="0.38243159"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31124"
                           xFract="0.74777725"
                           y3="6.36365"
                           yFract="0.75398697"
                           z3="6.3951"
                           zFract="0.28780828"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33176"
                           xFract="0.75020853"
                           y3="4.17754"
                           yFract="0.49496919"
                           z3="4.27736"
                           zFract="0.19250045"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30916"
                           xFract="0.74753081"
                           y3="0.06606"
                           yFract="0.00782701"
                           z3="8.59028"
                           zFract="0.38660126"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.33643"
                           xFract="0.51379502"
                           y3="2.16484"
                           yFract="0.25649763"
                           z3="8.53758"
                           zFract="0.38422952"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06096"
                           xFract="0.00722275"
                           y3="2.12349"
                           yFract="0.25159834"
                           z3="6.3352"
                           zFract="0.28511251"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97241"
                           xFract="0.23369787"
                           y3="0.01129"
                           yFract="0.00133768"
                           z3="6.41579"
                           zFract="0.28873942"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.06514"
                           xFract="0.00771801"
                           y3="-0.03882"
                           yFract="-0.00459953"
                           z3="4.30134"
                           zFract="0.19357966"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.10963"
                           xFract="0.01298934"
                           y3="0.07085"
                           yFract="0.00839455"
                           z3="8.44375"
                           zFract="0.38000675"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18919"
                           xFract="0.2593827"
                           y3="2.15372"
                           yFract="0.25518009"
                           z3="4.26465"
                           zFract="0.19192844"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31451"
                           xFract="0.27423104"
                           y3="1.95012"
                           yFract="0.23105687"
                           z3="8.82856"
                           zFract="0.39732493"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.15196"
                           xFract="0.49193839"
                           y3="2.15108"
                           yFract="0.2548673"
                           z3="6.41542"
                           zFract="0.28872277"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48793"
                           xFract="0.76871209"
                           y3="0.06976"
                           yFract="0.0082654"
                           z3="6.46361"
                           zFract="0.29089154"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13853"
                           xFract="0.49034716"
                           y3="-0.00806"
                           yFract="-0.00095498"
                           z3="4.30325"
                           zFract="0.19366562"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12067"
                           xFract="0.48823104"
                           y3="-0.11122"
                           yFract="-0.01317773"
                           z3="8.46472"
                           zFract="0.3809505"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25942"
                           xFract="0.74163744"
                           y3="2.02479"
                           yFract="0.23990403"
                           z3="4.17367"
                           zFract="0.18783393"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.19811"
                           xFract="0.73437322"
                           y3="2.08037"
                           yFract="0.24648934"
                           z3="9.09943"
                           zFract="0.4095153"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00393"
                           xFract="-0.00046564"
                           y3="6.32536"
                           yFract="0.74945024"
                           z3="6.38113"
                           zFract="0.28717957"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10272"
                           xFract="0.24913744"
                           y3="4.20552"
                           yFract="0.49828436"
                           z3="6.30681"
                           zFract="0.28383483"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13791"
                           xFract="-0.01634005"
                           y3="4.27717"
                           yFract="0.5067737"
                           z3="4.35303"
                           zFract="0.19590594"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03692"
                           xFract="0.00437441"
                           y3="4.21853"
                           yFract="0.49982583"
                           z3="8.51252"
                           zFract="0.38310171"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10579"
                           xFract="0.24950118"
                           y3="6.27128"
                           yFract="0.74304265"
                           z3="4.21414"
                           zFract="0.18965527"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04006"
                           xFract="0.24171327"
                           y3="6.41386"
                           yFract="0.75993602"
                           z3="8.47922"
                           zFract="0.38160306"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21412"
                           xFract="0.49930332"
                           y3="6.27598"
                           yFract="0.74359953"
                           z3="6.3273"
                           zFract="0.28475698"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31313"
                           xFract="0.74800118"
                           y3="4.17232"
                           yFract="0.49435071"
                           z3="6.55097"
                           zFract="0.29482313"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33545"
                           xFract="0.51367891"
                           y3="4.22115"
                           yFract="0.50013626"
                           z3="4.25503"
                           zFract="0.1914955"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14124"
                           xFract="0.49066825"
                           y3="4.29035"
                           yFract="0.50833531"
                           z3="8.54957"
                           zFract="0.38476913"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32234"
                           xFract="0.74909242"
                           y3="6.41851"
                           yFract="0.76048697"
                           z3="4.22531"
                           zFract="0.19015797"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38557"
                           xFract="0.75658412"
                           y3="6.36968"
                           yFract="0.75470142"
                           z3="8.5860"
                           zFract="0.38640864"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.94">
                  <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="H"
                           id="a1"
                           x3="2.04272"
                           xFract="0.24202844"
                           y3="2.07469"
                           yFract="0.24581635"
                           z3="9.75639"
                           zFract="0.43908146"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33691"
                           xFract="0.75081872"
                           y3="4.17359"
                           yFract="0.49450118"
                           z3="8.58773"
                           zFract="0.3864865"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12512"
                           xFract="0.25179147"
                           y3="-0.07775"
                           yFract="-0.00921209"
                           z3="8.53153"
                           zFract="0.38395725"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01695"
                           xFract="0.00200829"
                           y3="0.02413"
                           yFract="0.002859"
                           z3="6.41251"
                           zFract="0.28859181"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10148"
                           xFract="0.24899052"
                           y3="6.31235"
                           yFract="0.74790877"
                           z3="6.3722"
                           zFract="0.28677768"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09639"
                           xFract="0.24838744"
                           y3="2.11617"
                           yFract="0.25073104"
                           z3="6.32114"
                           zFract="0.28447975"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21155"
                           xFract="0.49899882"
                           y3="6.32172"
                           yFract="0.74901896"
                           z3="4.26949"
                           zFract="0.19214626"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23105"
                           xFract="0.50130924"
                           y3="2.1083"
                           yFract="0.24979858"
                           z3="4.2417"
                           zFract="0.19089559"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19041"
                           xFract="0.49649408"
                           y3="4.22111"
                           yFract="0.50013152"
                           z3="6.42047"
                           zFract="0.28895005"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00606"
                           xFract="0.00071801"
                           y3="4.20473"
                           yFract="0.49819076"
                           z3="6.40803"
                           zFract="0.28839019"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00444"
                           xFract="-0.00052607"
                           y3="6.33113"
                           yFract="0.75013389"
                           z3="4.28647"
                           zFract="0.19291044"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.0146"
                           xFract="-0.00172986"
                           y3="6.34424"
                           yFract="0.7516872"
                           z3="8.43508"
                           zFract="0.37961656"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20618"
                           xFract="0.49836256"
                           y3="-0.00942"
                           yFract="-0.00111611"
                           z3="6.3987"
                           zFract="0.2879703"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00282"
                           xFract="-0.00033412"
                           y3="2.13552"
                           yFract="0.2530237"
                           z3="4.25009"
                           zFract="0.19127318"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.2446"
                           xFract="-0.02898104"
                           y3="2.15991"
                           yFract="0.25591351"
                           z3="8.44292"
                           zFract="0.3799694"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08702"
                           xFract="0.24727725"
                           y3="4.19776"
                           yFract="0.49736493"
                           z3="4.22925"
                           zFract="0.19033528"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33569"
                           xFract="0.75067417"
                           y3="0.02118"
                           yFract="0.00250948"
                           z3="4.23812"
                           zFract="0.19073447"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07492"
                           xFract="0.2458436"
                           y3="4.33349"
                           yFract="0.51344668"
                           z3="8.59611"
                           zFract="0.38686364"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33525"
                           xFract="0.75062204"
                           y3="2.12045"
                           yFract="0.25123815"
                           z3="6.38888"
                           zFract="0.28752835"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09476"
                           xFract="0.24819431"
                           y3="0.00938"
                           yFract="0.00111137"
                           z3="4.23699"
                           zFract="0.19068362"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25468"
                           xFract="0.504109"
                           y3="6.3009"
                           yFract="0.74655213"
                           z3="8.49817"
                           zFract="0.3824559"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31128"
                           xFract="0.74778199"
                           y3="6.36359"
                           yFract="0.75397986"
                           z3="6.39542"
                           zFract="0.28782268"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33159"
                           xFract="0.75018839"
                           y3="4.17735"
                           yFract="0.49494668"
                           z3="4.27766"
                           zFract="0.19251395"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30873"
                           xFract="0.74747986"
                           y3="0.06595"
                           yFract="0.00781398"
                           z3="8.59122"
                           zFract="0.38664356"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.33568"
                           xFract="0.51370616"
                           y3="2.16554"
                           yFract="0.25658057"
                           z3="8.53763"
                           zFract="0.38423177"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06085"
                           xFract="0.00720972"
                           y3="2.12346"
                           yFract="0.25159479"
                           z3="6.33576"
                           zFract="0.28513771"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97246"
                           xFract="0.23370379"
                           y3="0.0110"
                           yFract="0.00130332"
                           z3="6.41571"
                           zFract="0.28873582"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.06477"
                           xFract="0.00767417"
                           y3="-0.03863"
                           yFract="-0.00457701"
                           z3="4.30134"
                           zFract="0.19357966"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11032"
                           xFract="0.01307109"
                           y3="0.07033"
                           yFract="0.00833294"
                           z3="8.44492"
                           zFract="0.38005941"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18938"
                           xFract="0.25940521"
                           y3="2.15353"
                           yFract="0.25515758"
                           z3="4.26562"
                           zFract="0.1919721"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31439"
                           xFract="0.27421682"
                           y3="1.94916"
                           yFract="0.23094313"
                           z3="8.82756"
                           zFract="0.39727993"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.15262"
                           xFract="0.49201659"
                           y3="2.15089"
                           yFract="0.25484479"
                           z3="6.41605"
                           zFract="0.28875113"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48786"
                           xFract="0.76870379"
                           y3="0.06915"
                           yFract="0.00819313"
                           z3="6.4653"
                           zFract="0.2909676"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.1390"
                           xFract="0.49040284"
                           y3="-0.00818"
                           yFract="-0.00096919"
                           z3="4.30356"
                           zFract="0.19367957"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.12031"
                           xFract="0.48818839"
                           y3="-0.11109"
                           yFract="-0.01316232"
                           z3="8.4656"
                           zFract="0.3809901"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25921"
                           xFract="0.74161256"
                           y3="2.02495"
                           yFract="0.23992299"
                           z3="4.17334"
                           zFract="0.18781908"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.19888"
                           xFract="0.73446445"
                           y3="2.07975"
                           yFract="0.24641588"
                           z3="9.10164"
                           zFract="0.40961476"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00418"
                           xFract="-0.00049526"
                           y3="6.32557"
                           yFract="0.74947512"
                           z3="6.38178"
                           zFract="0.28720882"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10263"
                           xFract="0.24912678"
                           y3="4.20545"
                           yFract="0.49827607"
                           z3="6.30717"
                           zFract="0.28385104"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13791"
                           xFract="-0.01634005"
                           y3="4.27705"
                           yFract="0.50675948"
                           z3="4.35358"
                           zFract="0.19593069"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03696"
                           xFract="0.00437915"
                           y3="4.21887"
                           yFract="0.49986611"
                           z3="8.51325"
                           zFract="0.38313456"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10567"
                           xFract="0.24948697"
                           y3="6.27153"
                           yFract="0.74307227"
                           z3="4.21426"
                           zFract="0.18966067"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04031"
                           xFract="0.24174289"
                           y3="6.41479"
                           yFract="0.76004621"
                           z3="8.47955"
                           zFract="0.38161791"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21401"
                           xFract="0.49929028"
                           y3="6.27626"
                           yFract="0.7436327"
                           z3="6.32765"
                           zFract="0.28477273"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31342"
                           xFract="0.74803555"
                           y3="4.17261"
                           yFract="0.49438507"
                           z3="6.5520"
                           zFract="0.29486949"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33562"
                           xFract="0.51369905"
                           y3="4.22132"
                           yFract="0.5001564"
                           z3="4.25506"
                           zFract="0.19149685"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14123"
                           xFract="0.49066706"
                           y3="4.29041"
                           yFract="0.50834242"
                           z3="8.55005"
                           zFract="0.38479073"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32223"
                           xFract="0.74907938"
                           y3="6.41833"
                           yFract="0.76046564"
                           z3="4.22574"
                           zFract="0.19017732"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38545"
                           xFract="0.75656991"
                           y3="6.36981"
                           yFract="0.75471682"
                           z3="8.58694"
                           zFract="0.38645095"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.95">
                  <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="H"
                           id="a1"
                           x3="2.0387"
                           xFract="0.24155213"
                           y3="2.07682"
                           yFract="0.24606872"
                           z3="9.75028"
                           zFract="0.43880648"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33729"
                           xFract="0.75086374"
                           y3="4.17488"
                           yFract="0.49465403"
                           z3="8.58861"
                           zFract="0.3865261"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12542"
                           xFract="0.25182701"
                           y3="-0.07747"
                           yFract="-0.00917891"
                           z3="8.5323"
                           zFract="0.3839919"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01874"
                           xFract="0.00222038"
                           y3="0.0244"
                           yFract="0.002891"
                           z3="6.41327"
                           zFract="0.28862601"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.1012"
                           xFract="0.24895735"
                           y3="6.31217"
                           yFract="0.74788744"
                           z3="6.37194"
                           zFract="0.28676598"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09629"
                           xFract="0.24837559"
                           y3="2.11605"
                           yFract="0.25071682"
                           z3="6.32441"
                           zFract="0.28462691"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2117"
                           xFract="0.49901659"
                           y3="6.32199"
                           yFract="0.74905095"
                           z3="4.27017"
                           zFract="0.19217687"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23143"
                           xFract="0.50135427"
                           y3="2.10884"
                           yFract="0.24986256"
                           z3="4.24234"
                           zFract="0.19092439"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19076"
                           xFract="0.49653555"
                           y3="4.22072"
                           yFract="0.50008531"
                           z3="6.42095"
                           zFract="0.28897165"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00582"
                           xFract="0.00068957"
                           y3="4.20429"
                           yFract="0.49813863"
                           z3="6.40899"
                           zFract="0.28843339"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00475"
                           xFract="-0.0005628"
                           y3="6.33118"
                           yFract="0.75013981"
                           z3="4.28692"
                           zFract="0.19293069"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01492"
                           xFract="-0.00176777"
                           y3="6.34464"
                           yFract="0.7517346"
                           z3="8.43536"
                           zFract="0.37962916"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20605"
                           xFract="0.49834716"
                           y3="-0.00901"
                           yFract="-0.00106754"
                           z3="6.40024"
                           zFract="0.2880396"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00261"
                           xFract="-0.00030924"
                           y3="2.13513"
                           yFract="0.25297749"
                           z3="4.25063"
                           zFract="0.19129748"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.2475"
                           xFract="-0.02932464"
                           y3="2.16006"
                           yFract="0.25593128"
                           z3="8.44381"
                           zFract="0.38000945"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08688"
                           xFract="0.24726066"
                           y3="4.19764"
                           yFract="0.49735071"
                           z3="4.2304"
                           zFract="0.19038704"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3360"
                           xFract="0.7507109"
                           y3="0.02134"
                           yFract="0.00252844"
                           z3="4.23842"
                           zFract="0.19074797"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07509"
                           xFract="0.24586374"
                           y3="4.33421"
                           yFract="0.51353199"
                           z3="8.59685"
                           zFract="0.38689694"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33547"
                           xFract="0.7506481"
                           y3="2.12033"
                           yFract="0.25122393"
                           z3="6.38897"
                           zFract="0.2875324"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09453"
                           xFract="0.24816706"
                           y3="0.00964"
                           yFract="0.00114218"
                           z3="4.23772"
                           zFract="0.19071647"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25464"
                           xFract="0.50410427"
                           y3="6.30019"
                           yFract="0.74646801"
                           z3="8.49924"
                           zFract="0.38250405"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31134"
                           xFract="0.7477891"
                           y3="6.36345"
                           yFract="0.75396327"
                           z3="6.39605"
                           zFract="0.28785104"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33124"
                           xFract="0.75014692"
                           y3="4.17696"
                           yFract="0.49490047"
                           z3="4.27826"
                           zFract="0.19254095"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30787"
                           xFract="0.74737796"
                           y3="0.06574"
                           yFract="0.0077891"
                           z3="8.5931"
                           zFract="0.38672817"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.33418"
                           xFract="0.51352844"
                           y3="2.16695"
                           yFract="0.25674763"
                           z3="8.53774"
                           zFract="0.38423672"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06062"
                           xFract="0.00718246"
                           y3="2.1234"
                           yFract="0.25158768"
                           z3="6.33689"
                           zFract="0.28518857"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97256"
                           xFract="0.23371564"
                           y3="0.01043"
                           yFract="0.00123578"
                           z3="6.41555"
                           zFract="0.28872862"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.06402"
                           xFract="0.00758531"
                           y3="-0.03826"
                           yFract="-0.00453318"
                           z3="4.30132"
                           zFract="0.19357876"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11169"
                           xFract="0.01323341"
                           y3="0.0693"
                           yFract="0.0082109"
                           z3="8.44724"
                           zFract="0.38016382"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18976"
                           xFract="0.25945024"
                           y3="2.15313"
                           yFract="0.25511019"
                           z3="4.26757"
                           zFract="0.19205986"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31414"
                           xFract="0.2741872"
                           y3="1.94726"
                           yFract="0.23071801"
                           z3="8.82556"
                           zFract="0.39718992"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.15393"
                           xFract="0.4921718"
                           y3="2.15051"
                           yFract="0.25479976"
                           z3="6.4173"
                           zFract="0.28880738"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48773"
                           xFract="0.76868839"
                           y3="0.06794"
                           yFract="0.00804976"
                           z3="6.46867"
                           zFract="0.29111926"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.13995"
                           xFract="0.4905154"
                           y3="-0.00842"
                           yFract="-0.00099763"
                           z3="4.30417"
                           zFract="0.19370702"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.11959"
                           xFract="0.48810308"
                           y3="-0.11082"
                           yFract="-0.01313033"
                           z3="8.46735"
                           zFract="0.38106886"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2588"
                           xFract="0.74156398"
                           y3="2.02528"
                           yFract="0.23996209"
                           z3="4.17267"
                           zFract="0.18778893"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20041"
                           xFract="0.73464573"
                           y3="2.07851"
                           yFract="0.24626896"
                           z3="9.10605"
                           zFract="0.40981323"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00466"
                           xFract="-0.00055213"
                           y3="6.32601"
                           yFract="0.74952725"
                           z3="6.38307"
                           zFract="0.28726688"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10245"
                           xFract="0.24910545"
                           y3="4.20532"
                           yFract="0.49826066"
                           z3="6.30788"
                           zFract="0.28388299"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13792"
                           xFract="-0.01634123"
                           y3="4.27682"
                           yFract="0.50673223"
                           z3="4.35467"
                           zFract="0.19597975"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03704"
                           xFract="0.00438863"
                           y3="4.21956"
                           yFract="0.49994787"
                           z3="8.51473"
                           zFract="0.38320117"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10542"
                           xFract="0.24945735"
                           y3="6.27204"
                           yFract="0.7431327"
                           z3="4.2145"
                           zFract="0.18967147"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04082"
                           xFract="0.24180332"
                           y3="6.41665"
                           yFract="0.76026659"
                           z3="8.48021"
                           zFract="0.38164761"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21379"
                           xFract="0.49926422"
                           y3="6.27681"
                           yFract="0.74369787"
                           z3="6.32835"
                           zFract="0.28480423"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31401"
                           xFract="0.74810545"
                           y3="4.1732"
                           yFract="0.49445498"
                           z3="6.55406"
                           zFract="0.2949622"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33597"
                           xFract="0.51374052"
                           y3="4.22168"
                           yFract="0.50019905"
                           z3="4.25511"
                           zFract="0.1914991"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14122"
                           xFract="0.49066588"
                           y3="4.29054"
                           yFract="0.50835782"
                           z3="8.55102"
                           zFract="0.38483438"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32203"
                           xFract="0.74905569"
                           y3="6.41798"
                           yFract="0.76042417"
                           z3="4.2266"
                           zFract="0.19021602"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38523"
                           xFract="0.75654384"
                           y3="6.37008"
                           yFract="0.75474882"
                           z3="8.58881"
                           zFract="0.3865351"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.96">
                  <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="H"
                           id="a1"
                           x3="2.03784"
                           xFract="0.24145024"
                           y3="2.07725"
                           yFract="0.24611967"
                           z3="9.74979"
                           zFract="0.43878443"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33736"
                           xFract="0.75087204"
                           y3="4.17507"
                           yFract="0.49467654"
                           z3="8.58875"
                           zFract="0.3865324"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12545"
                           xFract="0.25183057"
                           y3="-0.07735"
                           yFract="-0.00916469"
                           z3="8.53241"
                           zFract="0.38399685"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01897"
                           xFract="0.00224763"
                           y3="0.02447"
                           yFract="0.00289929"
                           z3="6.41343"
                           zFract="0.28863321"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10117"
                           xFract="0.24895379"
                           y3="6.31213"
                           yFract="0.7478827"
                           z3="6.37188"
                           zFract="0.28676328"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09625"
                           xFract="0.24837085"
                           y3="2.11604"
                           yFract="0.25071564"
                           z3="6.32496"
                           zFract="0.28465167"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21174"
                           xFract="0.49902133"
                           y3="6.32205"
                           yFract="0.74905806"
                           z3="4.27027"
                           zFract="0.19218137"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23149"
                           xFract="0.50136137"
                           y3="2.1089"
                           yFract="0.24986967"
                           z3="4.24244"
                           zFract="0.19092889"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19082"
                           xFract="0.49654265"
                           y3="4.22067"
                           yFract="0.50007938"
                           z3="6.42102"
                           zFract="0.2889748"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0058"
                           xFract="0.0006872"
                           y3="4.20422"
                           yFract="0.49813033"
                           z3="6.40917"
                           zFract="0.28844149"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00483"
                           xFract="-0.00057227"
                           y3="6.33119"
                           yFract="0.750141"
                           z3="4.28697"
                           zFract="0.19293294"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01501"
                           xFract="-0.00177844"
                           y3="6.34473"
                           yFract="0.75174526"
                           z3="8.4354"
                           zFract="0.37963096"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20603"
                           xFract="0.49834479"
                           y3="-0.00892"
                           yFract="-0.00105687"
                           z3="6.4005"
                           zFract="0.28805131"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.0026"
                           xFract="-0.00030806"
                           y3="2.13507"
                           yFract="0.25297038"
                           z3="4.2507"
                           zFract="0.19130063"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.24801"
                           xFract="-0.02938507"
                           y3="2.16007"
                           yFract="0.25593246"
                           z3="8.44398"
                           zFract="0.3800171"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08684"
                           xFract="0.24725592"
                           y3="4.19763"
                           yFract="0.49734953"
                           z3="4.23059"
                           zFract="0.19039559"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.33603"
                           xFract="0.75071445"
                           y3="0.02139"
                           yFract="0.00253436"
                           z3="4.23849"
                           zFract="0.19075113"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.0751"
                           xFract="0.24586493"
                           y3="4.33433"
                           yFract="0.51354621"
                           z3="8.59696"
                           zFract="0.38690189"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33554"
                           xFract="0.7506564"
                           y3="2.12031"
                           yFract="0.25122156"
                           z3="6.38898"
                           zFract="0.28753285"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09451"
                           xFract="0.24816469"
                           y3="0.00968"
                           yFract="0.00114692"
                           z3="4.2378"
                           zFract="0.19072007"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25468"
                           xFract="0.504109"
                           y3="6.30009"
                           yFract="0.74645616"
                           z3="8.49942"
                           zFract="0.38251215"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31139"
                           xFract="0.74779502"
                           y3="6.36343"
                           yFract="0.7539609"
                           z3="6.39616"
                           zFract="0.28785599"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3312"
                           xFract="0.75014218"
                           y3="4.17692"
                           yFract="0.49489573"
                           z3="4.27835"
                           zFract="0.192545"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30775"
                           xFract="0.74736374"
                           y3="0.06572"
                           yFract="0.00778673"
                           z3="8.59338"
                           zFract="0.38674077"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.3340"
                           xFract="0.51350711"
                           y3="2.16717"
                           yFract="0.2567737"
                           z3="8.53778"
                           zFract="0.38423852"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06059"
                           xFract="0.00717891"
                           y3="2.1234"
                           yFract="0.25158768"
                           z3="6.3371"
                           zFract="0.28519802"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97262"
                           xFract="0.23372275"
                           y3="0.01033"
                           yFract="0.00122393"
                           z3="6.41556"
                           zFract="0.28872907"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0639"
                           xFract="0.00757109"
                           y3="-0.03819"
                           yFract="-0.00452488"
                           z3="4.30128"
                           zFract="0.19357696"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11192"
                           xFract="0.01326066"
                           y3="0.06913"
                           yFract="0.00819076"
                           z3="8.44764"
                           zFract="0.38018182"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.18987"
                           xFract="0.25946327"
                           y3="2.15308"
                           yFract="0.25510427"
                           z3="4.26789"
                           zFract="0.19207426"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31425"
                           xFract="0.27420024"
                           y3="1.94683"
                           yFract="0.23066706"
                           z3="8.82456"
                           zFract="0.39714491"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.15411"
                           xFract="0.49219313"
                           y3="2.15042"
                           yFract="0.2547891"
                           z3="6.41755"
                           zFract="0.28881863"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48772"
                           xFract="0.7686872"
                           y3="0.06772"
                           yFract="0.0080237"
                           z3="6.46925"
                           zFract="0.29114536"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.14008"
                           xFract="0.49053081"
                           y3="-0.00848"
                           yFract="-0.00100474"
                           z3="4.30423"
                           zFract="0.19370972"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.11945"
                           xFract="0.48808649"
                           y3="-0.11078"
                           yFract="-0.01312559"
                           z3="8.46767"
                           zFract="0.38108326"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25873"
                           xFract="0.74155569"
                           y3="2.02532"
                           yFract="0.23996682"
                           z3="4.17255"
                           zFract="0.18778353"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20065"
                           xFract="0.73467417"
                           y3="2.07827"
                           yFract="0.24624052"
                           z3="9.10673"
                           zFract="0.40984383"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00472"
                           xFract="-0.00055924"
                           y3="6.32605"
                           yFract="0.74953199"
                           z3="6.38326"
                           zFract="0.28727543"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10245"
                           xFract="0.24910545"
                           y3="4.20531"
                           yFract="0.49825948"
                           z3="6.3080"
                           zFract="0.28388839"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13795"
                           xFract="-0.01634479"
                           y3="4.27678"
                           yFract="0.50672749"
                           z3="4.35486"
                           zFract="0.1959883"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03706"
                           xFract="0.004391"
                           y3="4.21965"
                           yFract="0.49995853"
                           z3="8.51498"
                           zFract="0.38321242"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10537"
                           xFract="0.24945142"
                           y3="6.27211"
                           yFract="0.743141"
                           z3="4.21456"
                           zFract="0.18967417"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0409"
                           xFract="0.2418128"
                           y3="6.41693"
                           yFract="0.76029976"
                           z3="8.48035"
                           zFract="0.38165392"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21376"
                           xFract="0.49926066"
                           y3="6.27694"
                           yFract="0.74371327"
                           z3="6.32847"
                           zFract="0.28480963"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.31408"
                           xFract="0.74811374"
                           y3="4.17331"
                           yFract="0.49446801"
                           z3="6.55442"
                           zFract="0.2949784"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.33603"
                           xFract="0.51374763"
                           y3="4.22173"
                           yFract="0.50020498"
                           z3="4.25511"
                           zFract="0.1914991"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14123"
                           xFract="0.49066706"
                           y3="4.29055"
                           yFract="0.508359"
                           z3="8.55119"
                           zFract="0.38484203"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3220"
                           xFract="0.74905213"
                           y3="6.4179"
                           yFract="0.76041469"
                           z3="4.22675"
                           zFract="0.19022277"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38517"
                           xFract="0.75653673"
                           y3="6.37015"
                           yFract="0.75475711"
                           z3="8.58912"
                           zFract="0.38654905"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.97">
                  <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="H"
                           id="a1"
                           x3="2.03527"
                           xFract="0.24114573"
                           y3="2.07853"
                           yFract="0.24627133"
                           z3="9.7483"
                           zFract="0.43871737"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33758"
                           xFract="0.7508981"
                           y3="4.17563"
                           yFract="0.49474289"
                           z3="8.58918"
                           zFract="0.38655176"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12551"
                           xFract="0.25183768"
                           y3="-0.0770"
                           yFract="-0.00912322"
                           z3="8.53275"
                           zFract="0.38401215"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01966"
                           xFract="0.00232938"
                           y3="0.02467"
                           yFract="0.00292299"
                           z3="6.41393"
                           zFract="0.28865572"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.1011"
                           xFract="0.2489455"
                           y3="6.3120"
                           yFract="0.7478673"
                           z3="6.37172"
                           zFract="0.28675608"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09613"
                           xFract="0.24835664"
                           y3="2.1160"
                           yFract="0.2507109"
                           z3="6.32661"
                           zFract="0.28472592"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.21186"
                           xFract="0.49903555"
                           y3="6.32224"
                           yFract="0.74908057"
                           z3="4.27058"
                           zFract="0.19219532"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23168"
                           xFract="0.50138389"
                           y3="2.10907"
                           yFract="0.24988981"
                           z3="4.24272"
                           zFract="0.19094149"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="4.19103"
                           xFract="0.49656754"
                           y3="4.22051"
                           yFract="0.50006043"
                           z3="6.42125"
                           zFract="0.28898515"/>
                     <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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00572"
                           xFract="0.00067773"
                           y3="4.20402"
                           yFract="0.49810664"
                           z3="6.40969"
                           zFract="0.2884649"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="-0.00506"
                           xFract="-0.00059953"
                           y3="6.33121"
                           yFract="0.75014336"
                           z3="4.28714"
                           zFract="0.19294059"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="-0.01526"
                           xFract="-0.00180806"
                           y3="6.34501"
                           yFract="0.75177844"
                           z3="8.43551"
                           zFract="0.37963591"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.20598"
                           xFract="0.49833886"
                           y3="-0.00864"
                           yFract="-0.0010237"
                           z3="6.40128"
                           zFract="0.28808641"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="-0.00257"
                           xFract="-0.0003045"
                           y3="2.13489"
                           yFract="0.25294905"
                           z3="4.25089"
                           zFract="0.19130918"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="-0.24957"
                           xFract="-0.02956991"
                           y3="2.16009"
                           yFract="0.25593483"
                           z3="8.44448"
                           zFract="0.3800396"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.08674"
                           xFract="0.24724408"
                           y3="4.19759"
                           yFract="0.49734479"
                           z3="4.23116"
                           zFract="0.19042124"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3361"
                           xFract="0.75072275"
                           y3="0.02152"
                           yFract="0.00254976"
                           z3="4.23869"
                           zFract="0.19076013"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.07513"
                           xFract="0.24586848"
                           y3="4.33468"
                           yFract="0.51358768"
                           z3="8.59728"
                           zFract="0.38691629"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.33574"
                           xFract="0.75068009"
                           y3="2.12024"
                           yFract="0.25121327"
                           z3="6.38901"
                           zFract="0.2875342"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.09444"
                           xFract="0.2481564"
                           y3="0.00979"
                           yFract="0.00115995"
                           z3="4.23804"
                           zFract="0.19073087"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.25479"
                           xFract="0.50412204"
                           y3="6.29977"
                           yFract="0.74641825"
                           z3="8.49997"
                           zFract="0.3825369"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31152"
                           xFract="0.74781043"
                           y3="6.36335"
                           yFract="0.75395142"
                           z3="6.39649"
                           zFract="0.28787084"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.33108"
                           xFract="0.75012796"
                           y3="4.17679"
                           yFract="0.49488033"
                           z3="4.27863"
                           zFract="0.19255761"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30739"
                           xFract="0.74732109"
                           y3="0.06567"
                           yFract="0.00778081"
                           z3="8.59424"
                           zFract="0.38677948"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.33344"
                           xFract="0.51344076"
                           y3="2.16784"
                           yFract="0.25685308"
                           z3="8.53789"
                           zFract="0.38424347"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0605"
                           xFract="0.00716825"
                           y3="2.12339"
                           yFract="0.25158649"
                           z3="6.33773"
                           zFract="0.28522637"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97277"
                           xFract="0.23374052"
                           y3="0.01005"
                           yFract="0.00119076"
                           z3="6.41558"
                           zFract="0.28872997"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.06352"
                           xFract="0.00752607"
                           y3="-0.03799"
                           yFract="-0.00450118"
                           z3="4.30116"
                           zFract="0.19357156"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.11262"
                           xFract="0.0133436"
                           y3="0.06861"
                           yFract="0.00812915"
                           z3="8.44883"
                           zFract="0.38023537"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.19021"
                           xFract="0.25950355"
                           y3="2.15293"
                           yFract="0.25508649"
                           z3="4.26885"
                           zFract="0.19211746"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31457"
                           xFract="0.27423815"
                           y3="1.94555"
                           yFract="0.2305154"
                           z3="8.82155"
                           zFract="0.39700945"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.15466"
                           xFract="0.49225829"
                           y3="2.15015"
                           yFract="0.25475711"
                           z3="6.41832"
                           zFract="0.28885329"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48768"
                           xFract="0.76868246"
                           y3="0.06708"
                           yFract="0.00794787"
                           z3="6.47099"
                           zFract="0.29122367"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.14048"
                           xFract="0.4905782"
                           y3="-0.00865"
                           yFract="-0.00102488"
                           z3="4.30441"
                           zFract="0.19371782"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.11902"
                           xFract="0.48803555"
                           y3="-0.11067"
                           yFract="-0.01311256"
                           z3="8.4686"
                           zFract="0.38112511"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.25854"
                           xFract="0.74153318"
                           y3="2.02545"
                           yFract="0.23998223"
                           z3="4.17218"
                           zFract="0.18776688"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.20138"
                           xFract="0.73476066"
                           y3="2.07753"
                           yFract="0.24615284"
                           z3="9.10877"
                           zFract="0.40993564"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="-0.00488"
                           xFract="-0.0005782"
                           y3="6.32619"
                           yFract="0.74954858"
                           z3="6.38386"
                           zFract="0.28730243"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.10245"
                           xFract="0.24910545"
                           y3="4.20529"
                           yFract="0.49825711"
                           z3="6.30839"
                           zFract="0.28390594"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.13806"
                           xFract="-0.01635782"
                           y3="4.27665"
                           yFract="0.50671209"
                           z3="4.35541"
                           zFract="0.19601305"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0371"
                           xFract="0.00439573"
                           y3="4.21992"
                           yFract="0.49999052"
                           z3="8.51574"
                           zFract="0.38324662"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.10522"
                           xFract="0.24943365"
                           y3="6.27233"
                           yFract="0.74316706"
                           z3="4.21471"
                           zFract="0.18968092"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.04113"
                           xFract="0.24184005"
                           y3="6.41777"
                           yFract="0.76039929"
                           z3="8.48076"
                           zFract="0.38167237"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21366"
                           xFract="0.49924882"
                           y3="6.27732"
                           yFract="0.74375829"
                           z3="6.32884"
                           zFract="0.28482628"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3143"
                           xFract="0.74813981"
                           y3="4.17366"
                           yFract="0.49450948"
                           z3="6.55552"
                           zFract="0.2950279"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3362"
                           xFract="0.51376777"
                           y3="4.22189"
                           yFract="0.50022393"
                           z3="4.25512"
                           zFract="0.19149955"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.14126"
                           xFract="0.49067062"
                           y3="4.29055"
                           yFract="0.508359"
                           z3="8.55169"
                           zFract="0.38486454"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32192"
                           xFract="0.74904265"
                           y3="6.41766"
                           yFract="0.76038626"
                           z3="4.22718"
                           zFract="0.19024212"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38501"
                           xFract="0.75651777"
                           y3="6.37035"
                           yFract="0.75478081"
                           z3="8.59005"
                           zFract="0.38659091"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a77" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a48" order="S"/>
                     <bond atomRefs2="a6 a45" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a72" order="S"/>
                     <bond atomRefs2="a7 a76" order="S"/>
                     <bond atomRefs2="a7 a79" order="S"/>
                     <bond atomRefs2="a7 a69" order="S"/>
                     <bond atomRefs2="a8 a48" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a46" order="S"/>
                     <bond atomRefs2="a10 a42" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a18" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a13 a77" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a80" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a70" order="S"/>
                     <bond atomRefs2="a13 a21" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a39" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a75" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a35" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a78" order="S"/>
                     <bond atomRefs2="a15 a41" order="S"/>
                     <bond atomRefs2="a15 a53" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a79" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a19" order="S"/>
                     <bond atomRefs2="a18 a68" order="S"/>
                     <bond atomRefs2="a18 a63" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a43" order="S"/>
                     <bond atomRefs2="a19 a63" order="S"/>
                     <bond atomRefs2="a19 a67" order="S"/>
                     <bond atomRefs2="a19 a70" order="S"/>
                     <bond atomRefs2="a19 a62" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a63" order="S"/>
                     <bond atomRefs2="a20 a71" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a49" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a42" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a52" order="S"/>
                     <bond atomRefs2="a23 a53" order="S"/>
                     <bond atomRefs2="a23 a58" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a24 a42" order="S"/>
                     <bond atomRefs2="a24 a43" order="S"/>
                     <bond atomRefs2="a24 a47" order="S"/>
                     <bond atomRefs2="a24 a67" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a68" order="S"/>
                     <bond atomRefs2="a26 a70" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a26 a65" order="S"/>
                     <bond atomRefs2="a26 a50" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a28 a66" order="S"/>
                     <bond atomRefs2="a28 a62" order="S"/>
                     <bond atomRefs2="a28 a64" order="S"/>
                     <bond atomRefs2="a28 a42" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a78" order="S"/>
                     <bond atomRefs2="a30 a75" order="S"/>
                     <bond atomRefs2="a30 a55" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a56" order="S"/>
                     <bond atomRefs2="a32 a49" order="S"/>
                     <bond atomRefs2="a32 a44" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a50" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a47" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a54" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a74" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a78" order="S"/>
                     <bond atomRefs2="a35 a71" order="S"/>
                     <bond atomRefs2="a36 a75" order="S"/>
                     <bond atomRefs2="a36 a81" order="S"/>
                     <bond atomRefs2="a36 a73" order="S"/>
                     <bond atomRefs2="a36 a80" order="S"/>
                     <bond atomRefs2="a37 a56" order="S"/>
                     <bond atomRefs2="a37 a52" order="S"/>
                     <bond atomRefs2="a37 a54" order="S"/>
                     <bond atomRefs2="a37 a57" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a69" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a66" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a76" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a80" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a40 a61" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a58" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a61" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H 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="81">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 81</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="81">0.000 0.009 -0.001 0.004 0.005 0.009 0.013 0.002 0.017 0.001 -0.000 0.001 0.000 -0.000 -0.000 0.004 -0.001 0.001 -0.001 -0.001 0.000 -0.003 0.003 0.000 0.001 -0.004 -0.002 0.006 0.014 -0.001 0.002 -0.005 -0.006 -0.004 -0.001 0.006 0.009 0.002 -0.007 0.012 -0.001 0.006 0.006 0.005 0.011 0.012 0.007 0.004 0.007 0.006 0.003 0.006 0.001 0.006 0.006 0.004 -0.000 0.000 0.005 0.004 0.004 0.008 0.009 0.006 0.008 0.014 0.001 0.002 0.009 0.006 0.007 0.010 0.003 0.006 0.007 0.011 0.005 0.002 0.010 0.003 0.004</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="81">0.000 0.013 -0.004 0.012 0.006 0.010 0.015 0.001 0.020 -0.000 -0.001 0.005 0.001 -0.000 -0.000 0.005 -0.001 0.003 -0.000 -0.001 0.002 -0.003 0.003 0.000 -0.005 -0.002 -0.001 0.006 0.008 -0.001 0.007 -0.003 0.006 0.001 -0.001 0.008 0.008 0.005 0.010 0.010 -0.001 0.122 0.006 0.069 0.163 0.150 0.077 0.044 0.115 0.138 0.002 0.116 0.024 0.129 0.071 0.041 0.019 -0.044 0.047 0.110 0.053 0.096 0.116 0.085 0.156 0.157 0.041 -0.011 0.092 0.126 0.053 0.143 0.028 0.100 0.143 0.142 0.099 0.014 0.085 0.086 0.043</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="81">0.000 1.442 1.315 1.375 1.188 0.956 1.512 1.074 1.502 1.254 1.512 0.002 0.000 -0.000 -0.000 0.001 -0.000 0.001 -0.000 -0.001 0.001 0.578 -0.397 -0.228 -0.261 0.548 0.544 -0.219 -0.158 0.410 -0.241 -0.004 0.032 0.018 -0.001 0.012 0.006 0.004 0.035 0.003 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 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="81">0.001 1.464 1.309 1.391 1.199 0.975 1.540 1.077 1.540 1.254 1.510 0.008 0.002 -0.001 -0.001 0.011 -0.002 0.005 -0.001 -0.003 0.002 0.571 -0.392 -0.228 -0.265 0.542 0.541 -0.207 -0.136 0.408 -0.233 -0.011 0.032 0.015 -0.002 0.025 0.024 0.012 0.038 0.026 -0.002 0.128 0.012 0.075 0.174 0.161 0.084 0.049 0.121 0.144 0.004 0.122 0.025 0.135 0.077 0.044 0.019 -0.043 0.053 0.114 0.057 0.104 0.126 0.091 0.163 0.171 0.041 -0.010 0.101 0.132 0.060 0.153 0.031 0.106 0.149 0.153 0.103 0.016 0.095 0.089 0.047</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.311</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">3.384</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">13.816</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">17.511</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-425.68839947</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-425.67858867</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-425.68349407</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.5304</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.4476250E-03</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="H"
                        id="a1"
                        x3="2.03527"
                        xFract="0.24114573"
                        y3="2.07853"
                        yFract="0.24627133"
                        z3="9.7483"
                        zFract="0.43871737"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.33758"
                        xFract="0.7508981"
                        y3="4.17563"
                        yFract="0.49474289"
                        z3="8.58918"
                        zFract="0.38655176"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="2.12551"
                        xFract="0.25183768"
                        y3="-0.0770"
                        yFract="-0.00912322"
                        z3="8.53275"
                        zFract="0.38401215"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="0.01966"
                        xFract="0.00232938"
                        y3="0.02467"
                        yFract="0.00292299"
                        z3="6.41393"
                        zFract="0.28865572"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="2.1011"
                        xFract="0.2489455"
                        y3="6.3120"
                        yFract="0.7478673"
                        z3="6.37172"
                        zFract="0.28675608"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.09613"
                        xFract="0.24835664"
                        y3="2.1160"
                        yFract="0.2507109"
                        z3="6.32661"
                        zFract="0.28472592"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="4.21186"
                        xFract="0.49903555"
                        y3="6.32224"
                        yFract="0.74908057"
                        z3="4.27058"
                        zFract="0.19219532"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="4.23168"
                        xFract="0.50138389"
                        y3="2.10907"
                        yFract="0.24988981"
                        z3="4.24272"
                        zFract="0.19094149"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="4.19103"
                        xFract="0.49656754"
                        y3="4.22051"
                        yFract="0.50006043"
                        z3="6.42125"
                        zFract="0.28898515"/>
                  <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="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="0.00572"
                        xFract="0.00067773"
                        y3="4.20402"
                        yFract="0.49810664"
                        z3="6.40969"
                        zFract="0.2884649"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="-0.00506"
                        xFract="-0.00059953"
                        y3="6.33121"
                        yFract="0.75014336"
                        z3="4.28714"
                        zFract="0.19294059"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="-0.01526"
                        xFract="-0.00180806"
                        y3="6.34501"
                        yFract="0.75177844"
                        z3="8.43551"
                        zFract="0.37963591"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="4.20598"
                        xFract="0.49833886"
                        y3="-0.00864"
                        yFract="-0.0010237"
                        z3="6.40128"
                        zFract="0.28808641"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="-0.00257"
                        xFract="-0.0003045"
                        y3="2.13489"
                        yFract="0.25294905"
                        z3="4.25089"
                        zFract="0.19130918"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="-0.24957"
                        xFract="-0.02956991"
                        y3="2.16009"
                        yFract="0.25593483"
                        z3="8.44448"
                        zFract="0.3800396"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="2.08674"
                        xFract="0.24724408"
                        y3="4.19759"
                        yFract="0.49734479"
                        z3="4.23116"
                        zFract="0.19042124"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.3361"
                        xFract="0.75072275"
                        y3="0.02152"
                        yFract="0.00254976"
                        z3="4.23869"
                        zFract="0.19076013"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.07513"
                        xFract="0.24586848"
                        y3="4.33468"
                        yFract="0.51358768"
                        z3="8.59728"
                        zFract="0.38691629"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="6.33574"
                        xFract="0.75068009"
                        y3="2.12024"
                        yFract="0.25121327"
                        z3="6.38901"
                        zFract="0.2875342"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="2.09444"
                        xFract="0.2481564"
                        y3="0.00979"
                        yFract="0.00115995"
                        z3="4.23804"
                        zFract="0.19073087"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="4.25479"
                        xFract="0.50412204"
                        y3="6.29977"
                        yFract="0.74641825"
                        z3="8.49997"
                        zFract="0.3825369"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="6.31152"
                        xFract="0.74781043"
                        y3="6.36335"
                        yFract="0.75395142"
                        z3="6.39649"
                        zFract="0.28787084"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="6.33108"
                        xFract="0.75012796"
                        y3="4.17679"
                        yFract="0.49488033"
                        z3="4.27863"
                        zFract="0.19255761"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="6.30739"
                        xFract="0.74732109"
                        y3="0.06567"
                        yFract="0.00778081"
                        z3="8.59424"
                        zFract="0.38677948"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="4.33344"
                        xFract="0.51344076"
                        y3="2.16784"
                        yFract="0.25685308"
                        z3="8.53789"
                        zFract="0.38424347"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a43"
                        x3="0.0605"
                        xFract="0.00716825"
                        y3="2.12339"
                        yFract="0.25158649"
                        z3="6.33773"
                        zFract="0.28522637"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a45"
                        x3="1.97277"
                        xFract="0.23374052"
                        y3="0.01005"
                        yFract="0.00119076"
                        z3="6.41558"
                        zFract="0.28872997"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.06352"
                        xFract="0.00752607"
                        y3="-0.03799"
                        yFract="-0.00450118"
                        z3="4.30116"
                        zFract="0.19357156"/>
                  <atom elementType="O"
                        id="a48"
                        x3="0.11262"
                        xFract="0.0133436"
                        y3="0.06861"
                        yFract="0.00812915"
                        z3="8.44883"
                        zFract="0.38023537"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.19021"
                        xFract="0.25950355"
                        y3="2.15293"
                        yFract="0.25508649"
                        z3="4.26885"
                        zFract="0.19211746"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.31457"
                        xFract="0.27423815"
                        y3="1.94555"
                        yFract="0.2305154"
                        z3="8.82155"
                        zFract="0.39700945"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a53"
                        x3="4.15466"
                        xFract="0.49225829"
                        y3="2.15015"
                        yFract="0.25475711"
                        z3="6.41832"
                        zFract="0.28885329"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a55"
                        x3="6.48768"
                        xFract="0.76868246"
                        y3="0.06708"
                        yFract="0.00794787"
                        z3="6.47099"
                        zFract="0.29122367"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.14048"
                        xFract="0.4905782"
                        y3="-0.00865"
                        yFract="-0.00102488"
                        z3="4.30441"
                        zFract="0.19371782"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.11902"
                        xFract="0.48803555"
                        y3="-0.11067"
                        yFract="-0.01311256"
                        z3="8.4686"
                        zFract="0.38112511"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.25854"
                        xFract="0.74153318"
                        y3="2.02545"
                        yFract="0.23998223"
                        z3="4.17218"
                        zFract="0.18776688"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.20138"
                        xFract="0.73476066"
                        y3="2.07753"
                        yFract="0.24615284"
                        z3="9.10877"
                        zFract="0.40993564"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a63"
                        x3="-0.00488"
                        xFract="-0.0005782"
                        y3="6.32619"
                        yFract="0.74954858"
                        z3="6.38386"
                        zFract="0.28730243"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a65"
                        x3="2.10245"
                        xFract="0.24910545"
                        y3="4.20529"
                        yFract="0.49825711"
                        z3="6.30839"
                        zFract="0.28390594"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="-0.13806"
                        xFract="-0.01635782"
                        y3="4.27665"
                        yFract="0.50671209"
                        z3="4.35541"
                        zFract="0.19601305"/>
                  <atom elementType="O"
                        id="a68"
                        x3="0.0371"
                        xFract="0.00439573"
                        y3="4.21992"
                        yFract="0.49999052"
                        z3="8.51574"
                        zFract="0.38324662"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.10522"
                        xFract="0.24943365"
                        y3="6.27233"
                        yFract="0.74316706"
                        z3="4.21471"
                        zFract="0.18968092"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.04113"
                        xFract="0.24184005"
                        y3="6.41777"
                        yFract="0.76039929"
                        z3="8.48076"
                        zFract="0.38167237"/>
                  <atom elementType="O"
                        id="a72"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a73"
                        x3="4.21366"
                        xFract="0.49924882"
                        y3="6.27732"
                        yFract="0.74375829"
                        z3="6.32884"
                        zFract="0.28482628"/>
                  <atom elementType="O"
                        id="a74"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a75"
                        x3="6.3143"
                        xFract="0.74813981"
                        y3="4.17366"
                        yFract="0.49450948"
                        z3="6.55552"
                        zFract="0.2950279"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.3362"
                        xFract="0.51376777"
                        y3="4.22189"
                        yFract="0.50022393"
                        z3="4.25512"
                        zFract="0.19149955"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.14126"
                        xFract="0.49067062"
                        y3="4.29055"
                        yFract="0.508359"
                        z3="8.55169"
                        zFract="0.38486454"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.32192"
                        xFract="0.74904265"
                        y3="6.41766"
                        yFract="0.76038626"
                        z3="4.22718"
                        zFract="0.19024212"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.38501"
                        xFract="0.75651777"
                        y3="6.37035"
                        yFract="0.75478081"
                        z3="8.59005"
                        zFract="0.38659091"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a51" order="S"/>
                  <bond atomRefs2="a2 a42" order="S"/>
                  <bond atomRefs2="a2 a46" order="S"/>
                  <bond atomRefs2="a2 a49" order="S"/>
                  <bond atomRefs2="a2 a66" order="S"/>
                  <bond atomRefs2="a3 a77" order="S"/>
                  <bond atomRefs2="a3 a76" order="S"/>
                  <bond atomRefs2="a3 a72" order="S"/>
                  <bond atomRefs2="a3 a74" order="S"/>
                  <bond atomRefs2="a3 a52" order="S"/>
                  <bond atomRefs2="a3 a64" order="S"/>
                  <bond atomRefs2="a4 a75" order="S"/>
                  <bond atomRefs2="a5 a79" order="S"/>
                  <bond atomRefs2="a5 a74" order="S"/>
                  <bond atomRefs2="a5 a76" order="S"/>
                  <bond atomRefs2="a5 a59" order="S"/>
                  <bond atomRefs2="a6 a51" order="S"/>
                  <bond atomRefs2="a6 a48" order="S"/>
                  <bond atomRefs2="a6 a45" order="S"/>
                  <bond atomRefs2="a6 a58" order="S"/>
                  <bond atomRefs2="a7 a72" order="S"/>
                  <bond atomRefs2="a7 a76" order="S"/>
                  <bond atomRefs2="a7 a79" order="S"/>
                  <bond atomRefs2="a7 a69" order="S"/>
                  <bond atomRefs2="a8 a48" order="S"/>
                  <bond atomRefs2="a8 a43" order="S"/>
                  <bond atomRefs2="a8 a47" order="S"/>
                  <bond atomRefs2="a8 a45" order="S"/>
                  <bond atomRefs2="a9 a62" order="S"/>
                  <bond atomRefs2="a9 a66" order="S"/>
                  <bond atomRefs2="a9 a69" order="S"/>
                  <bond atomRefs2="a10 a46" order="S"/>
                  <bond atomRefs2="a10 a42" order="S"/>
                  <bond atomRefs2="a10 a44" order="S"/>
                  <bond atomRefs2="a11 a71" order="S"/>
                  <bond atomRefs2="a11 a65" order="S"/>
                  <bond atomRefs2="a11 a63" order="S"/>
                  <bond atomRefs2="a11 a70" order="S"/>
                  <bond atomRefs2="a11 a73" order="S"/>
                  <bond atomRefs2="a12 a50" order="S"/>
                  <bond atomRefs2="a12 a45" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a12 a65" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a53" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a77" order="S"/>
                  <bond atomRefs2="a13 a73" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a80" order="S"/>
                  <bond atomRefs2="a13 a72" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a70" order="S"/>
                  <bond atomRefs2="a13 a21" order="S"/>
                  <bond atomRefs2="a14 a53" order="S"/>
                  <bond atomRefs2="a14 a57" order="S"/>
                  <bond atomRefs2="a14 a60" order="S"/>
                  <bond atomRefs2="a14 a52" order="S"/>
                  <bond atomRefs2="a14 a77" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a39" order="S"/>
                  <bond atomRefs2="a14 a50" order="S"/>
                  <bond atomRefs2="a15 a75" order="S"/>
                  <bond atomRefs2="a15 a77" order="S"/>
                  <bond atomRefs2="a15 a35" order="S"/>
                  <bond atomRefs2="a15 a73" order="S"/>
                  <bond atomRefs2="a15 a78" order="S"/>
                  <bond atomRefs2="a15 a41" order="S"/>
                  <bond atomRefs2="a15 a53" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a16 a52" order="S"/>
                  <bond atomRefs2="a16 a56" order="S"/>
                  <bond atomRefs2="a16 a59" order="S"/>
                  <bond atomRefs2="a16 a76" order="S"/>
                  <bond atomRefs2="a16 a49" order="S"/>
                  <bond atomRefs2="a17 a80" order="S"/>
                  <bond atomRefs2="a17 a79" order="S"/>
                  <bond atomRefs2="a17 a74" order="S"/>
                  <bond atomRefs2="a17 a72" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a68" order="S"/>
                  <bond atomRefs2="a18 a63" order="S"/>
                  <bond atomRefs2="a18 a67" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a18 a65" order="S"/>
                  <bond atomRefs2="a18 a43" order="S"/>
                  <bond atomRefs2="a19 a63" order="S"/>
                  <bond atomRefs2="a19 a67" order="S"/>
                  <bond atomRefs2="a19 a70" order="S"/>
                  <bond atomRefs2="a19 a62" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a20 a68" order="S"/>
                  <bond atomRefs2="a20 a63" order="S"/>
                  <bond atomRefs2="a20 a71" order="S"/>
                  <bond atomRefs2="a21 a70" order="S"/>
                  <bond atomRefs2="a21 a69" order="S"/>
                  <bond atomRefs2="a21 a64" order="S"/>
                  <bond atomRefs2="a21 a62" order="S"/>
                  <bond atomRefs2="a21 a72" order="S"/>
                  <bond atomRefs2="a22 a50" order="S"/>
                  <bond atomRefs2="a22 a49" order="S"/>
                  <bond atomRefs2="a22 a44" order="S"/>
                  <bond atomRefs2="a22 a42" order="S"/>
                  <bond atomRefs2="a22 a64" order="S"/>
                  <bond atomRefs2="a22 a52" order="S"/>
                  <bond atomRefs2="a23 a53" order="S"/>
                  <bond atomRefs2="a23 a58" order="S"/>
                  <bond atomRefs2="a23 a57" order="S"/>
                  <bond atomRefs2="a24 a42" order="S"/>
                  <bond atomRefs2="a24 a43" order="S"/>
                  <bond atomRefs2="a24 a47" order="S"/>
                  <bond atomRefs2="a24 a67" order="S"/>
                  <bond atomRefs2="a25 a48" order="S"/>
                  <bond atomRefs2="a25 a43" order="S"/>
                  <bond atomRefs2="a25 a68" order="S"/>
                  <bond atomRefs2="a26 a70" order="S"/>
                  <bond atomRefs2="a26 a64" order="S"/>
                  <bond atomRefs2="a26 a65" order="S"/>
                  <bond atomRefs2="a26 a50" order="S"/>
                  <bond atomRefs2="a27 a54" order="S"/>
                  <bond atomRefs2="a27 a60" order="S"/>
                  <bond atomRefs2="a28 a66" order="S"/>
                  <bond atomRefs2="a28 a62" order="S"/>
                  <bond atomRefs2="a28 a64" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a29 a68" order="S"/>
                  <bond atomRefs2="a29 a71" order="S"/>
                  <bond atomRefs2="a29 a78" order="S"/>
                  <bond atomRefs2="a30 a75" order="S"/>
                  <bond atomRefs2="a30 a55" order="S"/>
                  <bond atomRefs2="a31 a59" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a56" order="S"/>
                  <bond atomRefs2="a32 a49" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a32 a56" order="S"/>
                  <bond atomRefs2="a33 a50" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a47" order="S"/>
                  <bond atomRefs2="a33 a57" order="S"/>
                  <bond atomRefs2="a34 a59" order="S"/>
                  <bond atomRefs2="a34 a54" order="S"/>
                  <bond atomRefs2="a34 a60" order="S"/>
                  <bond atomRefs2="a34 a52" order="S"/>
                  <bond atomRefs2="a34 a74" order="S"/>
                  <bond atomRefs2="a35 a81" order="S"/>
                  <bond atomRefs2="a35 a73" order="S"/>
                  <bond atomRefs2="a35 a78" order="S"/>
                  <bond atomRefs2="a35 a71" order="S"/>
                  <bond atomRefs2="a36 a75" order="S"/>
                  <bond atomRefs2="a36 a81" order="S"/>
                  <bond atomRefs2="a36 a73" order="S"/>
                  <bond atomRefs2="a36 a80" order="S"/>
                  <bond atomRefs2="a37 a56" order="S"/>
                  <bond atomRefs2="a37 a52" order="S"/>
                  <bond atomRefs2="a37 a54" order="S"/>
                  <bond atomRefs2="a37 a57" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a38 a69" order="S"/>
                  <bond atomRefs2="a38 a64" order="S"/>
                  <bond atomRefs2="a38 a66" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a38 a76" order="S"/>
                  <bond atomRefs2="a39 a77" order="S"/>
                  <bond atomRefs2="a39 a80" order="S"/>
                  <bond atomRefs2="a39 a74" order="S"/>
                  <bond atomRefs2="a39 a60" order="S"/>
                  <bond atomRefs2="a40 a61" order="S"/>
                  <bond atomRefs2="a40 a55" order="S"/>
                  <bond atomRefs2="a40 a58" order="S"/>
                  <bond atomRefs2="a41 a51" order="S"/>
                  <bond atomRefs2="a41 a61" order="S"/>
                  <bond atomRefs2="a41 a53" order="S"/>
                  <bond atomRefs2="a41 a78" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg10Ni10O40Zn10">
                  <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2759.510000000007</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
